Geometry & MOs

Info

ID:	209846
PubChem CID:	80731122
Reduced:	S2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	248.017701
ΔH_f, kcal/mol:	-167.88
Dipole, Da:	8.49
IP(EA), eV:	-9.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethylsulfonylmethyl)-5-methylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)S(=O)(=O)CC1=C(SC(=C1)C(=O)O)C

DOS

IR

Vibrations