Geometry & MOs

Info

ID:	2824
PubChem CID:	8660
Reduced:	SO4H8C9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	212.01433
ΔH_f, kcal/mol:	-145.69
Dipole, Da:	9.67
IP(EA), eV:	-9.63(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carboxymethylsulfanyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)SCC(=O)O

DOS

IR

Vibrations