Geometry & MOs

Info

ID:	124738
PubChem CID:	50894519
Reduced:	ClNSO6H12C15 (1)
Stoich.:	ABCD6E12F15 (1)
Weight, g/mol:	287.046358
ΔH_f, kcal/mol:	-197.94
Dipole, Da:	14.27
IP(EA), eV:	-10.08(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[carboxymethyl(ethylsulfonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC(=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations