S-[2-(Propanoylamino)Ethyl] (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Propanethioate
Properties
Property | Value |
---|---|
Formula | C27H39NO3S |
IUPAC Name | s-[2-(propanoylamino)ethyl] (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanethioate |
Molecular Mass | 457.668 g·mol−1 |
Heat of Formation | -622.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.26 ± 1.08 D |
Volume | 581.03 Å 3 |
Surface Area | 465.9 Å 2 |
HOMO Energy | -9.27 ± 0.55 eV |
LUMO Energy | -0.86 ± eV |
Point Group Symmetry | C1 |
InChIKey | NPTBAEOEUMZYQL-CTKPXJAYSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |