Geometry & MOs

Info

ID:	197511
PubChem CID:	78973985
Reduced:	ClSO2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	286.027535
ΔH_f, kcal/mol:	-50.86
Dipole, Da:	6.23
IP(EA), eV:	-9.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)O)C2=CC=CC=C2Cl

DOS

IR

Vibrations