Geometry & MOs

Info

ID:	297592
PubChem CID:	117622585
Reduced:	ClFN3O5H25C27 (1)
Stoich.:	ABC3D5E25F27 (1)
Weight, g/mol:	318.040734
ΔH_f, kcal/mol:	-179.8
Dipole, Da:	4.18
IP(EA), eV:	-9.4(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(C)F)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)C#N)OC

DOS

IR

Vibrations