Geometry & MOs

Info

ID:	11265
PubChem CID:	112660
Reduced:	NNaSO7H16C20 (1)
Stoich.:	ABCD7E16F20 (1)
Weight, g/mol:	437.054517
ΔH_f, kcal/mol:	-259.71
Dipole, Da:	8.27
IP(EA), eV:	-8.24(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;6-[[3-carboxy-1-(2-hydroxyphenyl)-3-oxopropyl]amino]naphthalene-1-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CC(=O)C(=O)O)NC2=CC3=C(C=C2)C(=CC=C3)S(=O)(=O)[O-])O.[Na+]

DOS

IR

Vibrations