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

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Properties Simple | Detailed

Formula C8H12N2O4S
IUPAC Name (2r)-2-acetamido-3-[(1r)-1-cyano-2-hydroxy-ethyl]sulfanyl-propanoic acid
Molecular Mass 232.257 g·mol−1
Heat of Formation -667.9 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 266.02 Å 3
Surface Area 235.53 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey UEMSOISQYXTWFP-RQJHMYQMSA-N
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