Geometry & MOs

Info

ID:	203215
PubChem CID:	79793345
Reduced:	ClOF3N3H11C13 (1)
Stoich.:	ABC3D3E11F13 (1)
Weight, g/mol:	283.080435
ΔH_f, kcal/mol:	-161.79
Dipole, Da:	6.09
IP(EA), eV:	-8.86(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C2C=CC=NC2=C(C=C1)Cl)(C(F)(F)F)N

DOS

IR

Vibrations