Geometry & MOs

Info

ID:	16070
PubChem CID:	459014
Reduced:	N2Na2S2O9H10C17 (1)
Stoich.:	A2B2C2D9E10F17 (1)
Weight, g/mol:	495.962311
ΔH_f, kcal/mol:	-349.64
Dipole, Da:	9.13
IP(EA), eV:	-9.88(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;7-[(4-nitrobenzoyl)amino]naphthalene-1,3-disulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations