(3S,11S,11As)-8,11-Dihydroxy-3,7-Dimethoxy-1,2,3,10,11,11A-Hexahydro-5H-Pyrrolo[2,1-C][1,4]Benzodiazepin-5-One
Properties
Property | Value |
---|---|
Formula | C14H18N2O5 |
IUPAC Name | (6r,6as,9s)-3,6-dihydroxy-2,9-dimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one |
Molecular Mass | 294.303 g·mol−1 |
Heat of Formation | -789.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.91 ± 1.08 D |
Volume | 330.13 Å 3 |
Surface Area | 289.92 Å 2 |
HOMO Energy | -8.67 ± 0.55 eV |
LUMO Energy | -0.15 ± eV |
Point Group Symmetry | C1 |
InChIKey | XKTHCVPMSHHKSI-TVYUQYBPSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |