Geometry & MOs

Info

ID:	124672
PubChem CID:	50891940
Reduced:	NSCl2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	401.025535
ΔH_f, kcal/mol:	-62.75
Dipole, Da:	3.84
IP(EA), eV:	-8.83(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylanilino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations