N-(Carboxycarbonyl)-S-(3-Nitrobenzyl)-L-Cysteine

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Formula C12H12N2O7S
IUPAC Name (2r)-3-[(3-nitrophenyl)methylsulfanyl]-2-(oxaloamino)propanoic acid
Molecular Mass 328.298 g·mol−1
Heat of Formation -814.5 ± 16.7 kJ·mol−1
Dipole Moment 7.13 ± 1.08 D
Volume 348.3 Å 3
Surface Area 286.69 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
InChIKey OBSYIMVMIJBTMQ-VIFPVBQESA-N
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