Geometry & MOs

Info

ID:	814
PubChem CID:	3390
Reduced:	FO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	378.184252
ΔH_f, kcal/mol:	-258.61
Dipole, Da:	7.66
IP(EA), eV:	-10.04(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2(C(=O)CO)O)CC(C4=CC(=O)C=CC34C)F)O

DOS

IR

Vibrations