1-[(2S)-2-Methyl-3-(Nitrososulfanyl)Propanoyl]-L-Proline

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Properties Simple | Detailed

Formula C9H14N2O4S
IUPAC Name (2s)-1-[(2s)-2-methyl-3-nitrososulfanyl-propanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 246.283 g·mol−1
Heat of Formation -534.5 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 287.3 Å 3
Surface Area 257.0 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-methyl-3-(nitrosothio)-1-oxopropyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2s)-2-methyl-3-(nitrosothio)propanoyl]proline
  • (2s)-1-[(2s)-2-methyl-3-nitrososulfanyl-propanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-2-methyl-3-nitrososulfanylpropanoyl]pyrrolidine-2-carboxylic acid
  • l-proline, 1-(2-methyl-3-(nitrosothio)-1-oxopropyl)-, (s)-
CAS Number(s)
  • 122130-63-6
InChIKey HNIULCDUASSKOM-RQJHMYQMSA-N
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