2-{2-(2-Amino-2-Carboxyethoxy)-2-Oxo-1-[(Phenylacetyl)Amino]Ethyl}-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C19H23N3O7S--
IUPAC Name carbon dioxide; (z)-[1-(cyanomethoxycarbonyl)-2-isopropenylsulfanyl-2-methylidyneammonio-ethylidene]-(2-cyclohexa-2,4-dien-1-ylidene-1-oxo-vinyl)ammonium
Molecular Mass 437.467 g·mol−1
Heat of Formation -1074.9 ± 16.7 kJ·mol−1
Dipole Moment 8.61 ± 1.08 D
Volume 492.85 Å 3
Surface Area 367.91 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey USNINKBPBVKHHZ-RZFFKMDDSA-L
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