Geometry & MOs

Info

ID:	206564
PubChem CID:	80267928
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	239.095771
ΔH_f, kcal/mol:	-68.56
Dipole, Da:	3.68
IP(EA), eV:	-9.65(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2-fluoro-4-methylbenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(CN)S(=O)(=O)N(CC)CC1=CC=CC=N1

DOS

IR

Vibrations