Geometry & MOs

Info

ID:	213926
PubChem CID:	81065557
Reduced:	NSCl2O4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	282.067428
ΔH_f, kcal/mol:	-167.6
Dipole, Da:	7.29
IP(EA), eV:	-10.12(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-cyanophenyl)sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1=CC(=CC(=C1)Cl)Cl

DOS

IR

Vibrations