Geometry & MOs

Info

ID:	1024
PubChem CID:	3680
Reduced:	FO6C24H31 (1)
Stoich.:	AB6C24D31 (1)
Weight, g/mol:	434.210467
ΔH_f, kcal/mol:	-316.72
Dipole, Da:	10.1
IP(EA), eV:	-9.59(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations