Geometry & MOs

Info

ID:	18937
PubChem CID:	551170
Reduced:	O3C30H50 (1)
Stoich.:	A3B30C50 (1)
Weight, g/mol:	458.375995
ΔH_f, kcal/mol:	-196.81
Dipole, Da:	3.1
IP(EA), eV:	-8.77(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-(hydroxymethyl)-17-(2-hydroxy-6-methylheptan-2-yl)-4,4,10,14-tetramethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(C)CCCC(C)(C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)CO)C)O

DOS

IR

Vibrations