(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-Naphthalenecarboxamide
Properties
Property | Value |
---|---|
Formula | C22H23ClN2O8 |
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-carboxamide |
Molecular Mass | 478.880 g·mol−1 |
Heat of Formation | -1277.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.88 ± 1.08 D |
Volume | 517.78 Å 3 |
Surface Area | 403.46 Å 2 |
HOMO Energy | -9.17 ± 0.55 eV |
LUMO Energy | -1.46 ± eV |
Point Group Symmetry | C1 |
InChIKey | GFSLIMZISCAANG-AXVXPIMKSA-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 |