6-Nitro-1,2,3-Benzothiadiazole-2,7A-Diide

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Formula C6H5N3O2S
IUPAC Name 6-nitro-1,2,3-benzothiadiazole-2,7a-diide
Molecular Mass 183.188 g·mol−1
Heat of Formation 296.2 ± 16.7 kJ·mol−1
Dipole Moment 0.91 ± 1.08 D
Volume 183.01 Å 3
Surface Area 180.17 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 0.72 ± eV
Point Group Symmetry Cs
InChIKey HCXCXFIBONMJFC-UHFFFAOYSA-N
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