Geometry & MOs

Info

ID:	124739
PubChem CID:	50894581
Reduced:	NSO6C11H13 (1)
Stoich.:	ABC6D11E13 (1)
Weight, g/mol:	397.038686
ΔH_f, kcal/mol:	-229.64
Dipole, Da:	3.6
IP(EA), eV:	-10.36(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-carboxypropyl-(4-chlorophenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC(=O)O)C1=CC=CC(=C1)C(=O)O

DOS

IR

Vibrations