N-[(3S,4R,4Ar,5S,6R)-3-(Dichloromethyl)-5,8-Dihydroxy-3,6-Dimethyl-1-Oxo-3,4,4A,5,6,7-Hexahydro-1H-Isochromen-4-Yl]-L-Alaninamide
Properties
| Property | Value |
|---|---|
| Formula | C15H22Cl2N2O5 |
| IUPAC Name | (2s)-n-[(3s,4r,4ar,5s,6r)-3-(dichloromethyl)-5,8-dihydroxy-3,6-dimethyl-1-oxo-4a,5,6,7-tetrahydro-4h-isochromen-4-yl]-2-amino-propanamide |
| Molecular Mass | 381.252 g·mol−1 |
| Heat of Formation | -1054.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.72 ± 1.08 D |
| Volume | 418.92 Å 3 |
| Surface Area | 331.75 Å 2 |
| HOMO Energy | -9.85 ± 0.55 eV |
| LUMO Energy | 2.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RREHSYIRMHYJHY-RQGKCFPDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |