N-Acetyl-S-(1-Cyano-2-Hydroxyethyl)Cysteine

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Properties Simple | Detailed

Formula C8H12N2O4S
IUPAC Name (2r)-2-acetamido-3-[(1s)-1-cyano-2-hydroxy-ethyl]sulfanyl-propanoic acid
Molecular Mass 232.257 g·mol−1
Heat of Formation -651.1 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 272.05 Å 3
Surface Area 249.65 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey UEMSOISQYXTWFP-BQBZGAKWSA-N
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