Geometry & MOs

Info

ID:	378188
PubChem CID:	134224264
Reduced:	ClO2F3N4H14C16 (1)
Stoich.:	AB2C3D4E14F16 (1)
Weight, g/mol:	277.025419
ΔH_f, kcal/mol:	-167.02
Dipole, Da:	6.89
IP(EA), eV:	-9.81(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-chloropyrimidin-4-yl)amino]phenyl]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1CNC2=NC(=NC=C2C(F)(F)F)Cl

DOS

IR

Vibrations