Geometry & MOs

Info

ID:	317868
PubChem CID:	126646645
Reduced:	NSO4F6C28H29 (1)
Stoich.:	ABC4D6E28F29 (1)
Weight, g/mol:	629.222292
ΔH_f, kcal/mol:	-421.54
Dipole, Da:	6.64
IP(EA), eV:	-9.26(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[2,2-diphenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-2-fluoro-6-methylsulfonylphenyl]ethanol

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC(=C1)OCCCN(CC2=CC(=CC=C2)C(F)(F)F)CC(C3=CC=C(C=C3)F)(F)F)CCO

DOS

IR

Vibrations