Geometry & MOs

Info

ID:	214016
PubChem CID:	81065785
Reduced:	NSO4C8H15 (1)
Stoich.:	ABC4D8E15 (1)
Weight, g/mol:	293.053335
ΔH_f, kcal/mol:	-163.14
Dipole, Da:	7.58
IP(EA), eV:	-10.1(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1CC1

DOS

IR

Vibrations