Thieno[3,4-c]pyrrole-4,6-dione

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational231.38kJ mol-1
Total (Trans. + Rot. + Vib.)241.29kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational94.08J mol-1 K-1
Total (Trans. + Rot. + Vib.)127.34J mol-1 K-1
Entropy
PropertyValueUnit
Translational171.48J mol-1 K-1
Rotational124.77J mol-1 K-1
Vibrational65.10J mol-1 K-1
Total (Trans. + Rot. + Vib.)361.36J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-143.97kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 158.71 cm-1 View
  • 2 177.30 cm-1 View
  • 3 185.46 cm-1 View
  • 4 263.45 cm-1 View
  • 5 321.20 cm-1 View
  • 6 393.11 cm-1 View
  • 7 512.12 cm-1 View
  • 8 556.99 cm-1 View
  • 9 582.50 cm-1 View
  • 10 601.40 cm-1 View
  • 11 607.83 cm-1 View
  • 12 666.81 cm-1 View
  • 13 782.75 cm-1 View
  • 14 795.05 cm-1 View
  • 15 808.13 cm-1 View
  • 16 852.59 cm-1 View
  • 17 860.40 cm-1 View
  • 18 904.29 cm-1 View
  • 19 909.98 cm-1 View
  • 20 1035.90 cm-1 View
  • 21 1086.63 cm-1 View
  • 22 1119.02 cm-1 View
  • 23 1199.51 cm-1 View
  • 24 1269.91 cm-1 View
  • 25 1309.69 cm-1 View
  • 26 1471.21 cm-1 View
  • 27 1747.87 cm-1 View
  • 28 1807.31 cm-1 View
  • 29 1974.20 cm-1 View
  • 30 2024.63 cm-1 View
  • 31 3124.09 cm-1 View
  • 32 3127.57 cm-1 View
  • 33 3425.28 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-10.04kJ mol-1
Polar Solvation Energy-28.19kJ mol-1
Nonpolar Solvation Energy18.14kJ mol-1
Surface Area129.42Å2
Charge of Molecule0
Dipole2.82Debye