Geometry & MOs

Info

ID:	317836
PubChem CID:	126646339
Reduced:	ClSN2F3O3C26H34 (1)
Stoich.:	ABC2D3E3F26G34 (1)
Weight, g/mol:	553.154607
ΔH_f, kcal/mol:	-268.96
Dipole, Da:	6.54
IP(EA), eV:	-9.29(-0.76)
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]acetic acid

Drug info:

PubChemData

Smile

CC(CN(CCCOC1CCCN(C1)S(=O)(=O)C)CC2=C(C(=CC=C2)C(F)(F)F)Cl)C3=CC=CC=C3

DOS

IR

Vibrations