Geometry & MOs

Info

ID:	169057
PubChem CID:	75059461
Reduced:	O13H20C22 (1)
Stoich.:	A13B20C22 (1)
Weight, g/mol:	619.921806
ΔH_f, kcal/mol:	-505.28
Dipole, Da:	8.35
IP(EA), eV:	-9.18(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trisodium;5-hydroxy-4-oxo-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate

Drug info:

PubChemData

Smile

CC1=C2C(=C(C(=C1C(=O)O)O)O)C(=O)C3=C(C=C(C(=C3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O

DOS

IR

Vibrations