Geometry & MOs

Info

ID:	25677
PubChem CID:	628438
Reduced:	SO2F3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	428.203274
ΔH_f, kcal/mol:	-191.36
Dipole, Da:	4.11
IP(EA), eV:	-9.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-13-methyl-6-(methylsulfonyloxymethyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=CC2=CC=C(C=C2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations