(1S,7S,14S,18S)-14-(4,4-Dichloropentyl)-18-(2-Hydroxy-2-Propanyl)-7-Isopropyl-15,15-Dimethyl-13,17-Dioxa-9,20-Dithia-3,6,22,23-Tetraazatricyclo[17.2.1.1~8,11~]Tricosa-8(23),10,19(22)-Triene-2,5,12,16-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C28H40Cl2N4O7S2 |
| IUPAC Name | carbon dioxide; [(1s)-1-[[3-cyano-7-[(z)-4,5-dichloropent-4-en-2-ynyl]-9-oxo-2-prop-1-ynyl-3,5,6,7-tetrahydrothiazolo[4,3-c][1,4]oxazepin-2-ium-6-yl]methyl]-5-(oxomethylene)-2-prop-1-ynyl-thiazole-1,3-diium-4-carbonyl]-methylidyne-ammonium; formaldehyde |
| Molecular Mass | 679.676 g·mol−1 |
| Heat of Formation | -1439.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.00 ± 1.08 D |
| Volume | 757.9 Å 3 |
| Surface Area | 486.61 Å 2 |
| HOMO Energy | -8.91 ± 0.55 eV |
| LUMO Energy | -0.92 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XZRCVAJXDSWDNB-DJABAAGCSA-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 |