Geometry & MOs

Info

ID:	89942
PubChem CID:	49965497
Reduced:	ClSO3N5H18C24 (1)
Stoich.:	ABC3D5E18F24 (1)
Weight, g/mol:	271.108267
ΔH_f, kcal/mol:	7.45
Dipole, Da:	11.96
IP(EA), eV:	-8.93(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-[(2-pyridin-1-ium-1-ylacetyl)amino]benzoate

Drug info:

PubChemData

Smile

CNC1=NC2=C(S1)C3=C(C(C(=C(O3)N)C#N)C4=CC=CC=C4OCC5=CC=CC=C5Cl)C(=O)N2

DOS

IR

Vibrations