Geometry & MOs

Info

ID:	124673
PubChem CID:	50891979
Reduced:	NSCl2O4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	415.041185
ΔH_f, kcal/mol:	-151.74
Dipole, Da:	5.55
IP(EA), eV:	-9.16(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations