Geometry & MOs

Info

ID:	317847
PubChem CID:	126646433
Reduced:	SN2O3F4C22H26 (1)
Stoich.:	AB2C3D4E22F26 (1)
Weight, g/mol:	539.175342
ΔH_f, kcal/mol:	-270.63
Dipole, Da:	5.85
IP(EA), eV:	-9.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[benzyl-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-2-methylsulfonylphenyl]ethanol

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)OCCCN(CC2=CC=CC=C2)CC3=C(C(=CC=C3)C(F)(F)F)F

DOS

IR

Vibrations