Geometry & MOs

Info

ID:	4004
PubChem CID:	10572
Reduced:	FO6C23H31 (1)
Stoich.:	AB6C23D31 (1)
Weight, g/mol:	422.210467
ΔH_f, kcal/mol:	-332.96
Dipole, Da:	4.02
IP(EA), eV:	-9.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(9R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1(CCC2C1(CC([C@]3(C2CCC4=CC(=O)CCC43C)F)O)C)O

DOS

IR

Vibrations