S-Nitroso-N-Acetylpenicillamine

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Properties Simple | Detailed

Formula C7H12N2O4S
IUPAC Name (2r)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoic acid
Molecular Mass 220.246 g·mol−1
Heat of Formation -578.2 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 254.02 Å 3
Surface Area 225.85 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-methyl-3-(nitrosothio)butanoic acid
  • (2r)-2-acetamido-3-methyl-3-(nitrosothio)butyric acid
  • (2r)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoic acid
  • (2r)-2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid
  • valine, n-acetyl-3-(nitrosothio)-
InChIKey ZIIQCSMRQKCOCT-RXMQYKEDSA-N
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