Methyl 2-[(8Z)-9-Hydroxy-4,6-Dimethyl-7-Oxo-9-(3,4,5-Trichloro-1H-Pyrrol-2-Yl)-8-Nonen-2-Yl]-4,5-Dihydro-1,3-Thiazole-4-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C20H25Cl3N2O4S |
| IUPAC Name | methyl (4r)-2-[(z,1s,3s,5s)-8-hydroxy-1,3,5-trimethyl-6-oxo-8-(3,4,5-trichloropyrrol-1-ium-2-ylium-2-yl)oct-7-enyl]-4,5-dihydrothiazole-4-carboxylate |
| Molecular Mass | 495.848 g·mol−1 |
| Heat of Formation | -752.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.44 ± 1.08 D |
| Volume | 550.69 Å 3 |
| Surface Area | 397.71 Å 2 |
| HOMO Energy | -9.10 ± 0.55 eV |
| LUMO Energy | -0.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QZKSBMSTJXABHJ-ZATQVCOOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |