Geometry & MOs

Info

ID:	169014
PubChem CID:	75054357
Reduced:	BrClN3O5H17C18 (1)
Stoich.:	ABC3D5E17F18 (1)
Weight, g/mol:	390.085673
ΔH_f, kcal/mol:	-131.62
Dipole, Da:	4.96
IP(EA), eV:	-9.54(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[[(2-chlorophenyl)methylideneamino]carbamoyl]pyridin-1-ium-1-yl]-3-ethoxy-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)O)[N+]1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2Cl.[Br-]

DOS

IR

Vibrations