N-Acetyl-3-(Nitrososulfanyl)-D-Valine

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Properties Simple | Detailed

Formula C7H12N2O4S
IUPAC Name (2s)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoic acid
Molecular Mass 220.246 g·mol−1
Heat of Formation -575.0 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 253.82 Å 3
Surface Area 227.36 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-3-methyl-3-(nitrosothio)butanoic acid
  • (2s)-2-acetamido-3-methyl-3-(nitrosothio)butyric acid
  • (2s)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoic acid
  • (2s)-2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid
  • tocris-0598
InChIKey ZIIQCSMRQKCOCT-YFKPBYRVSA-N
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