Geometry & MOs

Info

ID:	7804
PubChem CID:	74186
Reduced:	SO2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	232.055801
ΔH_f, kcal/mol:	-42.82
Dipole, Da:	4.51
IP(EA), eV:	-9.03(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-thiophen-2-ylethyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC2=CC=CS2)C(=O)O

DOS

IR

Vibrations