4-{(2Z)-2-[(4Z,8Xi,9Xi,14Xi,16α,17Beta)-16,17-Dihydroxy-3-Oxoestra-1,5(10)-Dien-4-Ylidene]Hydrazino}Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C25H28N2O5 |
| IUPAC Name | 4-[(2z)-2-[(8s,9s,13s,14r,16r,17r)-16,17-dihydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-ylidene]hydrazino]benzoic acid |
| Molecular Mass | 436.500 g·mol−1 |
| Heat of Formation | -681.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.08 ± 1.08 D |
| Volume | 503.84 Å 3 |
| Surface Area | 411.98 Å 2 |
| HOMO Energy | -8.70 ± 0.55 eV |
| LUMO Energy | -1.72 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SXUHTHCPZGQELJ-FQRNOJKLSA-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 |