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-[(8r,9s,11s,13s,14r,17s)-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 | -797.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.30 ± 1.08 D |
Volume | 759.55 Å 3 |
Surface Area | 626.2 Å 2 |
HOMO Energy | -8.74 ± 0.55 eV |
LUMO Energy | 2.90 ± eV |
Point Group Symmetry | C1 |
InChIKey | SMZZRUZIOSLOJZ-BWLNUWQMSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |