Geometry & MOs

Info

ID:	227404
PubChem CID:	87561694
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	446.11635
ΔH_f, kcal/mol:	14.41
Dipole, Da:	2.8
IP(EA), eV:	-8.14(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=CC=C(C1(N)N)N)C2=CC=C(C=C2)N.OO

DOS

IR

Vibrations