Geometry & MOs

Info

ID:	177000
PubChem CID:	76123808
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	464.382973
ΔH_f, kcal/mol:	-85.96
Dipole, Da:	2.56
IP(EA), eV:	-8.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-difluoroprop-2-enyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(C)CC(C)NC(=O)C1C(O1)COOC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations