Geometry & MOs

Info

ID:	317860
PubChem CID:	126646533
Reduced:	NSF3O4C28H32 (1)
Stoich.:	ABC3D4E28F32 (1)
Weight, g/mol:	601.131284
ΔH_f, kcal/mol:	-271.81
Dipole, Da:	7.52
IP(EA), eV:	-9.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-[2-(4-fluorophenyl)ethyl]amino]propoxy]-2-methylsulfonylphenyl]acetic acid

Drug info:

PubChemData

Smile

CC(CN(CCCOC1=CC(=C(C=C1)CO)S(=O)(=O)C)CC2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations