Geometry & MOs

Info

ID:	214059
PubChem CID:	81066321
Reduced:	ClNSO5C13H18 (1)
Stoich.:	ABCD5E13F18 (1)
Weight, g/mol:	271.102
ΔH_f, kcal/mol:	-205.99
Dipole, Da:	8.37
IP(EA), eV:	-9.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2,3-difluorobenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)C1=C(C=C(C=C1)Cl)OC

DOS

IR

Vibrations