Geometry & MOs

Info

ID:	8930
PubChem CID:	83694
Reduced:	SO2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	196.055801
ΔH_f, kcal/mol:	-75.8
Dipole, Da:	3.72
IP(EA), eV:	-8.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCC(=O)O

DOS

IR

Vibrations