Geometry & MOs

Info

ID:	214075
PubChem CID:	81067196
Reduced:	NSO4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	309.023785
ΔH_f, kcal/mol:	-136.72
Dipole, Da:	8.82
IP(EA), eV:	-9.46(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations