Geometry & MOs

Info

ID:	124675
PubChem CID:	50891988
Reduced:	NSCl2O4H15C16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	367.064507
ΔH_f, kcal/mol:	-147.14
Dipole, Da:	4.6
IP(EA), eV:	-9.39(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations