Geometry & MOs

Info

ID:	810
PubChem CID:	3384
Reduced:	FO4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	376.204988
ΔH_f, kcal/mol:	-226.21
Dipole, Da:	7.36
IP(EA), eV:	-9.47(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O

DOS

IR

Vibrations