(16α,17Beta)-2,4-Dinitroestra-1(10),2,4-Triene-3,16,17-Triol
Properties
Property | Value |
---|---|
Formula | C18H22N2O7 |
IUPAC Name | (8s,9s,13s,14s,16r,17r)-13-methyl-2,4-dinitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol |
Molecular Mass | 378.376 g·mol−1 |
Heat of Formation | -573.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.94 ± 1.08 D |
Volume | 420.66 Å 3 |
Surface Area | 345.12 Å 2 |
HOMO Energy | -10.14 ± 0.55 eV |
LUMO Energy | -1.48 ± eV |
Point Group Symmetry | C1 |
InChIKey | LBVHZIPPKRHSGT-OHDHRFJRSA-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 |