(4S,4As,6S,8As)-6-[(1S)-7-Chloro-4-Hydroxy-1-Methyl-3-Oxo-1,3-Dihydro-2-Benzofuran-1-Yl]-4-(Dimethylamino)-3,8A-Dihydroxy-1,8-Dioxo-1,4,4A,5,6,7,8,8A-Octahydro-2-Naphthalenecarbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C22H21ClN2O7 |
| IUPAC Name | (4s,4as,6s,8as)-6-[(1s)-7-chloro-4-hydroxy-1-methyl-3-oxo-isobenzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-4a,5,6,7-tetrahydro-4h-naphthalene-2-carbonitrile |
| Molecular Mass | 460.864 g·mol−1 |
| Heat of Formation | -965.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.20 ± 1.08 D |
| Volume | 497.22 Å 3 |
| Surface Area | 396.5 Å 2 |
| HOMO Energy | -9.42 ± 0.55 eV |
| LUMO Energy | 1.54 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LLGMOYSDYFLOGF-REEKZYMCSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C Cl O N |