Geometry & MOs

Info

ID:	28341
PubChem CID:	827113
Reduced:	ClSO3H11C15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	312.043185
ΔH_f, kcal/mol:	-84.56
Dipole, Da:	4.13
IP(EA), eV:	-9.05(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)SC2=C(C=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations