Geometry & MOs

Info

ID:	213321
PubChem CID:	81063447
Reduced:	NCl2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	257.08635
ΔH_f, kcal/mol:	-133.78
Dipole, Da:	5.06
IP(EA), eV:	-9.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,6-difluorobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C(=CC=C1)Cl)Cl

DOS

IR

Vibrations