Geometry & MOs

Info

ID:	124676
PubChem CID:	50892052
Reduced:	ClNSO4C17H18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	381.080157
ΔH_f, kcal/mol:	-139.0
Dipole, Da:	3.2
IP(EA), eV:	-9.38(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-(4-chlorophenyl)sulfonyl-2,6-dimethylanilino)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations