Geometry & MOs

Info

ID:	227190
PubChem CID:	87560498
Reduced:	SF3O4H21C24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	386.079965
ΔH_f, kcal/mol:	-244.68
Dipole, Da:	7.3
IP(EA), eV:	-8.46(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methoxy-2-(methylsulfinylmethyl)-3-phenyl-6-(trifluoromethyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C(F)(F)F)CC(=O)O)CS(=O)CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations