7-Nitro-4-(1-Oxidopyridin-1-Ium-2-Yl)Sulfanyl-2,1,3-Benzoxadiazole

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Properties Simple | Detailed

Formula C11H12N4O4S
IUPAC Name 7-nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole
Molecular Mass 296.302 g·mol−1
Heat of Formation 459.1 ± 16.7 kJ·mol−1
Dipole Moment 9.30 ± 1.08 D
Volume 291.37 Å 3
Surface Area 268.15 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
InChIKey VGRSOBLBWOPODO-UHFFFAOYSA-N
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