(5Z)-3-Propyl-5-[(E,4E)-4-[1-(4-Sulfobutyl)-2,3,5,6,7,8-Hexahydroquinoline-2,3,4A,5,6,7,8,8A-Octaid-4-Ylidene]But-2-Enylidene]-2-Thioxo-Thiazolidin-4-One
Properties
| Property | Value |
|---|---|
| Formula | C23H35N2O4S3+ |
| IUPAC Name | 4-[(1r,4e,4as,8ar)-4-[(e,4z)-4-(4-oxo-3-propyl-2-thioxo-thiazolidin-5-ylidene)but-2-enylidene]-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-1-yl]butane-1-sulfonic acid |
| Molecular Mass | 499.730 g·mol−1 |
| Heat of Formation | -379.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.34 ± 1.08 D |
| Volume | 566.48 Å 3 |
| Surface Area | 502.59 Å 2 |
| HOMO Energy | -7.94 ± 0.55 eV |
| LUMO Energy | -1.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BZAZXWMZCUDYAI-BWYJBQNESA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |