1-Aminooxy-4-((3-Nitro-2-Pyridyl)Dithio)But-2-Ene

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Properties Simple | Detailed

Formula C9H13N3O3S2+
IUPAC Name o-[(e)-4-[(3-nitropyridin-1-ium-3-id-2-yl)disulfanyl]but-2-enyl]hydroxylamine
Molecular Mass 275.348 g·mol−1
Heat of Formation 104.1 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 298.51 Å 3
Surface Area 247.48 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 1-aonpde
  • o-[(e)-4-(3-nitropyridin-2-yl)disulfanylbut-2-enyl]hydroxylamine
  • o-[(e)-4-[(3-nitro-2-pyridyl)disulfanyl]but-2-enyl]hydroxylamine
  • pyridine, 2-((4-(aminooxy)-2-butenyl)dithio)-3-nitro-, (e)-
CAS Number(s)
  • 126218-46-0
InChIKey RFSIAWUZOYHFJG-OWOJBTEDSA-N
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