4-Benzofurazanamine, 7-Nitro-N-(2-(2-Pyridinyldithio)Ethyl)-

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Properties Simple | Detailed

Formula C13H11N5O3S2
IUPAC Name 4-nitro-n-[2-(2-pyridyldisulfanyl)ethyl]-2,1,3-benzoxadiazol-7-amine
Molecular Mass 349.388 g·mol−1
Heat of Formation 418.4 ± 16.7 kJ·mol−1
Dipole Moment 7.59 ± 1.08 D
Volume 371.33 Å 3
Surface Area 288.67 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • (7-nitrobenzofurazan-4-yl)-[2-(2-pyridyldisulfanyl)ethyl]amine
  • 1,4-(n-2-aminoethyl-2'-pyridyl disulfide)-7-nitrobenzo-2-oxa-1,3-diazole
  • 4-nitro-n-(2-pyridin-2-yldisulfanylethyl)-2,1,3-benzoxadiazol-7-amine
  • 4-nitro-n-[2-(2-pyridyldisulfanyl)ethyl]-2,1,3-benzoxadiazol-7-amine
  • n-apdnd
CAS Number(s)
  • 58210-58-5
InChIKey HYSMRQGFWZUAOC-UHFFFAOYSA-N
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