N-[(3S,4R,4Ar,6S)-3-(Dichloromethyl)-6,8-Dihydroxy-3-Methyl-1-Oxo-3,4,4A,5,6,7-Hexahydro-1H-Isochromen-4-Yl]-L-Alaninamide
Properties
Property | Value |
---|---|
Formula | C14H20Cl2N2O5 |
IUPAC Name | (2s)-n-[(3r,4r,4as,6s)-3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4h-isochromen-4-yl]-2-amino-propanamide |
Molecular Mass | 367.225 g·mol−1 |
Heat of Formation | -1045.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.46 ± 1.08 D |
Volume | 397.51 Å 3 |
Surface Area | 325.27 Å 2 |
HOMO Energy | -9.89 ± 0.55 eV |
LUMO Energy | 2.74 ± eV |
Point Group Symmetry | C1 |
InChIKey | JSRXKUDJDNEKAW-KXHOPGGXSA-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 |