Geometry & MOs

Info

ID:	1683
PubChem CID:	4872
Reduced:	O2C11H15 (2)
Stoich.:	A2B11C15 (2)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-191.54
Dipole, Da:	6.0
IP(EA), eV:	-9.95(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC4(CCC(=O)O)O)C

DOS

IR

Vibrations