[(7R)-5-Chloro-3-[(1E,3E,5S)-3,5-Dimethylhepta-1,3-Dienyl]-2-(2-Hydroxyethyl)-7-Methyl-6,8-Dioxo-1,4-Dihydroisoquinoline-1,3,4,8A-Tetraid-7-Yl] Acetate
Properties
| Property | Value |
|---|---|
| Formula | C23H33ClNO5+ |
| IUPAC Name | [(2r,3s,7r,8as)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxo-2,3,4,8a-tetrahydro-1h-isoquinolin-2-ium-7-yl] acetate |
| Molecular Mass | 438.965 g·mol−1 |
| Heat of Formation | -778.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.29 ± 1.08 D |
| Volume | 529.29 Å 3 |
| Surface Area | 447.53 Å 2 |
| HOMO Energy | -8.25 ± 0.55 eV |
| LUMO Energy | 2.14 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DTZKSNDXQVBOCS-SVJUGPNGSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |