Geometry & MOs

Info

ID:	3801
PubChem CID:	10226
Reduced:	SN2H6O8C10 (1)
Stoich.:	AB2C6D8E10 (1)
Weight, g/mol:	313.984486
ΔH_f, kcal/mol:	-128.75
Dipole, Da:	4.18
IP(EA), eV:	-10.64(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1S(=O)(=O)O)C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O

DOS

IR

Vibrations