[O-][Cl+3]([O-])([O-])N(Br)Br
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 60.75 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 70.67 | kJ mol-1 |
| Heat Capacity at Constant Pressure |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 76.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 110.23 | J mol-1 K-1 |
| Entropy |
| Translational | 177.84 | J mol-1 K-1 |
| Rotational | 127.92 | J mol-1 K-1 |
| Vibrational | 97.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 403.29 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | 82.45 | kJ mol-1 |
7 6 0 0 0 0 0 0 0 0999 V2000
-0.0188 -0.3104 0.2327 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.0122 -1.4012 -0.7242 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1091 1.1291 -0.7208 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2031 -0.2983 1.0613 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2069 -0.1818 0.9989 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1489 2.8296 -0.1165 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.2573 1.4234 -2.1061 Br 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 1 0
1 5 1 0
6 3 1 0
7 3 1 0
M CHG 4 1 3 2 -1 4 -1 5 -1
M END