Geometry & MOs

Info

ID:	20662
PubChem CID:	585039
Reduced:	SO2C8H8 (1)
Stoich.:	AB2C8D8 (1)
Weight, g/mol:	168.024501
ΔH_f, kcal/mol:	-62.77
Dipole, Da:	4.38
IP(EA), eV:	-9.41(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(sulfanylmethyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS)C(=O)O

DOS

IR

Vibrations