Geometry & MOs

Info

ID:	7847
PubChem CID:	74337
Reduced:	SO2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	244.055801
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	1.35
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(phenylsulfanylmethyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations