Geometry & MOs

Info

ID:	297598
PubChem CID:	117622887
Reduced:	ClF3N3O5H31C32 (1)
Stoich.:	AB3C3D5E31F32 (1)
Weight, g/mol:	505.065233
ΔH_f, kcal/mol:	-301.76
Dipole, Da:	5.96
IP(EA), eV:	-9.02(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[5-chloro-2-(trifluoromethoxy)phenyl]-5-cyano-2-oxopyridin-1-yl]propanoylamino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC(=O)C(CC2(CCC2)C(F)(F)F)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)C#N)OC

DOS

IR

Vibrations