Geometry & MOs

Info

ID:	163544
PubChem CID:	58034118
Reduced:	ClN2O4H23C28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	501.109149
ΔH_f, kcal/mol:	-62.68
Dipole, Da:	4.28
IP(EA), eV:	-8.63(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-ylamino)-5-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]benzoic acid

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)NC3=CC(=CC=C3)OC)C(=O)O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations