(4S)-2-{(1S)-1-Hydroxy-2-Methyl-1-[(2S,2'E,4R,4'R)-2'-(6-Oxo-2,4-Cyclohexadien-1-Ylidene)-2,4'-Bi-1,3-Thiazolidin-4-Yl]-2-Propanyl}-4-Methyl-4,5-Dihydro-1,3-Thiazole-4-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C21H27N3O4S3 |
IUPAC Name | (4s)-2-[(2s)-2-hydroxy-1,1-dimethyl-2-[(2s,4r)-2-[(2e,4r)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)thiazolidin-4-yl]thiazolidin-4-yl]ethyl]-4-methyl-5h-thiazole-4-carboxylic acid |
Molecular Mass | 481.652 g·mol−1 |
Heat of Formation | -494.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.76 ± 1.08 D |
Volume | 546.63 Å 3 |
Surface Area | 443.78 Å 2 |
HOMO Energy | -8.25 ± 0.55 eV |
LUMO Energy | -1.03 ± eV |
Point Group Symmetry | C1 |
InChIKey | CARQCAHMXWHUIE-SDJLTUQYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |