Geometry & MOs

Info

ID:	164628
PubChem CID:	74427714
Reduced:	O3C20H29 (1)
Stoich.:	A3B20C29 (1)
Weight, g/mol:	456.360345
ΔH_f, kcal/mol:	-147.24
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755162
Charge, e:	0

Chem-info

IUPAC name:

3,15-dihydroxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carbaldehyde

Drug info:

PubChemData

Smile

CC12CCCC(C1CC(C34C2CCC(C3)C(=C)C4)O)(C)C(=O)[O-]

DOS

IR

Vibrations