Geometry & MOs

Info

ID:	54448
PubChem CID:	17388693
Reduced:	NaN2O6H15C17 (1)
Stoich.:	AB2C6D15E17 (1)
Weight, g/mol:	352.06713
ΔH_f, kcal/mol:	-178.0
Dipole, Da:	13.33
IP(EA), eV:	-9.43(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-hydroxy-3-(4-nitrophenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC(C(C2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)[O-].[Na+]

DOS

IR

Vibrations