Geometry & MOs

Info

ID:	449937
PubChem CID:	135302718
Reduced:	SN4O4C18H36 (1)
Stoich.:	AB4C4D18E36 (1)
Weight, g/mol:	428.401816
ΔH_f, kcal/mol:	-230.56
Dipole, Da:	1.75
IP(EA), eV:	-9.11(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,8R,10S,13R,17R)-10,13-dimethyl-17-[(2R,5R)-5-propan-2-yloctan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCC(C)(CCOC(=O)NN)NC(=O)CC(C)(C)NC(=O)CCCCCS

DOS

IR

Vibrations