Geometry & MOs

Info

ID:	565
PubChem CID:	3003
Reduced:	FO5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	392.199902
ΔH_f, kcal/mol:	-266.11
Dipole, Da:	9.07
IP(EA), eV:	-9.64(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C

DOS

IR

Vibrations