(17β)-3-Oxoestr-4-En-17-Yl (2-Chloroethyl)Nitrosocarbamate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H29ClN2O4
IUPAC Name [(8r,9s,10r,13s,14r,17s)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] n-(2-chloroethyl)-n-nitroso-carbamate
Molecular Mass 408.919 g·mol−1
Heat of Formation -646.5 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 482.48 Å 3
Surface Area 397.21 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey KTQUNVRSLAGBSY-DLHQSYQFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl