4-Nitro-7-[(1-Oxido-2-Pyridinyl)Sulfanyl]-2,1,3-Benzoxadiazole

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Properties Simple | Detailed

Formula C11H12N4O4S+
IUPAC Name 7-nitro-4-(1-oxidopiperidine-2,3,4,5,6-pentaid-2-yl)sulfanyl-2,1,3-benzoxadiazole
Molecular Mass 296.302 g·mol−1
Heat of Formation 459.2 ± 16.7 kJ·mol−1
Dipole Moment 9.37 ± 1.08 D
Volume 291.22 Å 3
Surface Area 267.97 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • 4-nitro-7-[(1-oxido-2-pyridin-1-iumyl)thio]-2,1,3-benzoxadiazole
  • 4-nitro-7-[(1-oxidopyridin-1-ium-2-yl)thio]benzofurazan
InChIKey ICCFXXDUYSPKOL-UHFFFAOYSA-N
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