Geometry & MOs

Info

ID:	11839
PubChem CID:	121747
Reduced:	NaSN3O7H12C20 (1)
Stoich.:	ABC3D7E12F20 (1)
Weight, g/mol:	461.029365
ΔH_f, kcal/mol:	-149.15
Dipole, Da:	11.47
IP(EA), eV:	-9.53(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;7-(dihydroxyamino)-4-oxo-3-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=C(C4=C(C3=O)C=CC(=C4)N(O)O)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations