N-Hydroxy-2-(5-Hydroxy-6-Oxo-2,4-Cyclohexadien-1-Ylidene)-N-[2-(1H-Imidazol-5-Yl)Ethyl]-1,3-Thiazolidine-4-Carboxamide

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Properties Simple | Detailed

Formula C15H16N4O4S
IUPAC Name (2z,4r)-n-hydroxy-2-(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-n-(2-imidazol-3-ium-4-ylium-4-ylethyl)thiazolidine-4-carboxamide
Molecular Mass 348.377 g·mol−1
Heat of Formation -275.7 ± 16.7 kJ·mol−1
Dipole Moment 9.11 ± 1.08 D
Volume 381.49 Å 3
Surface Area 295.52 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey KSDVWTTWKBZPSU-HKLRHMNMSA-N
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