Geometry & MOs

Info

ID:	230803
PubChem CID:	87572032
Reduced:	NaO5C8H14 (1)
Stoich.:	AB5C8D14 (1)
Weight, g/mol:	458.024243
ΔH_f, kcal/mol:	-252.79
Dipole, Da:	4.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755069
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-4-oxo-3-[(2-sulfonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(=C)C.C(C(C(=O)O)O)C(=O)O.[Na]

DOS

IR

Vibrations