N-Butyl-2-[(5-{4-[3,17-Dihydroxyestra-1,3,5(10)-Trien-11-Yl]Phenoxy}Pentyl)Sulfanyl]-N-Methylacetamide
Properties
| Property | Value |
|---|---|
| Formula | C36H51NO4S |
| IUPAC Name | n-butyl-2-[5-[4-[(8s,9r,11s,13s,14s,17r)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]pentylsulfanyl]-n-methyl-acetamide |
| Molecular Mass | 593.859 g·mol−1 |
| Heat of Formation | -803.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.58 ± 1.08 D |
| Volume | 759.77 Å 3 |
| Surface Area | 609.12 Å 2 |
| HOMO Energy | -8.66 ± 0.55 eV |
| LUMO Energy | 2.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SMZZRUZIOSLOJZ-OPTPNSSMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |