Geometry & MOs

Info

ID:	163560
PubChem CID:	58034917
Reduced:	ClFN3O3H21C27 (1)
Stoich.:	ABC3D3E21F27 (1)
Weight, g/mol:	569.096533
ΔH_f, kcal/mol:	-61.32
Dipole, Da:	3.5
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]-2-[[2-(trifluoromethoxy)benzoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)Cl)C2=CN=C(C=C2)C(=O)C3=CC(=C(C=C3)NCC4=CC=C(C=C4)F)C(=O)O

DOS

IR

Vibrations