Geometry & MOs

Info

ID:	209847
PubChem CID:	80731123
Reduced:	S2O4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	302.064651
ΔH_f, kcal/mol:	-158.5
Dipole, Da:	8.1
IP(EA), eV:	-9.55(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC1=C(SC(=C1)C(=O)O)C

DOS

IR

Vibrations