2-Methoxy-21-Nitrilo-19-Norpregna-1(10),2,4-Trien-3-Yl Sulfamate
Properties
Property | Value |
---|---|
Formula | C21H28N2O4S |
IUPAC Name | [(8s,9s,13r,14s,17r)-17-(cyanomethyl)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate |
Molecular Mass | 404.523 g·mol−1 |
Heat of Formation | -580.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.41 ± 1.08 D |
Volume | 479.33 Å 3 |
Surface Area | 395.58 Å 2 |
HOMO Energy | -8.70 ± 0.55 eV |
LUMO Energy | 2.73 ± eV |
Point Group Symmetry | C1 |
InChIKey | NTSPHKOMJMBWOU-NNKXXINSSA-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 |