Geometry & MOs

Info

ID:	124667
PubChem CID:	50891489
Reduced:	NSCl2O4H15C16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	-129.72
Dipole, Da:	3.52
IP(EA), eV:	-9.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-ethylsulfonyl-2,5-dimethylanilino)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations