Geometry & MOs

Info

ID:	124610
PubChem CID:	50889597
Reduced:	ClNSO3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	271.087829
ΔH_f, kcal/mol:	-114.29
Dipole, Da:	3.99
IP(EA), eV:	-9.75(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-ethylsulfonylanilino)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations