Geometry & MOs

Info

ID:	27203
PubChem CID:	819516
Reduced:	ClOS2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	156.024501
ΔH_f, kcal/mol:	8.83
Dipole, Da:	4.22
IP(EA), eV:	-8.71(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethylthiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)/C=C(\S(=O)C)/Cl

DOS

IR

Vibrations