Geometry & MOs

Info

ID:	25927
PubChem CID:	634091
Reduced:	FOC27H43 (1)
Stoich.:	ABC27D43 (1)
Weight, g/mol:	402.386166
ΔH_f, kcal/mol:	-158.97
Dipole, Da:	5.53
IP(EA), eV:	-9.8(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-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]phenanthrene

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4=O)F)C)C

DOS

IR

Vibrations