Geometry & MOs

Info

ID:	124740
PubChem CID:	50894655
Reduced:	ClNSO6H16C17 (1)
Stoich.:	ABCD6E16F17 (1)
Weight, g/mol:	430.999714
ΔH_f, kcal/mol:	-214.47
Dipole, Da:	7.11
IP(EA), eV:	-9.83(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-carboxypropyl-(3,4-dichlorophenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations