Geometry & MOs

Info

ID:	298855
PubChem CID:	117661765
Reduced:	OC29H48 (1)
Stoich.:	AB29C48 (1)
Weight, g/mol:	414.386166
ΔH_f, kcal/mol:	-116.01
Dipole, Da:	2.58
IP(EA), eV:	-9.23(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](/C=C/C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C

DOS

IR

Vibrations