S-[2-Carboxy-1-(1H-Imidazol-4-Yl)Ethyl]Cysteine

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Formula C9H13N3O4S
IUPAC Name (3s)-3-[(2r)-2-amino-2-carboxy-ethyl]sulfanyl-3-imidazol-3-ium-4-ylium-4-yl-propanoic acid
Molecular Mass 259.282 g·mol−1
Heat of Formation -653.1 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 288.77 Å 3
Surface Area 256.16 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey ABJUPPXFQYZWTK-FSPLSTOPSA-N
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