Geometry & MOs

Info

ID:	557
PubChem CID:	2991
Reduced:	O5C24H32 (1)
Stoich.:	A5B24C32 (1)
Weight, g/mol:	400.224974
ΔH_f, kcal/mol:	-222.04
Dipole, Da:	9.18
IP(EA), eV:	-9.72(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) propanoate

Drug info:

PubChemData

Smile

CCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)C

DOS

IR

Vibrations