Geometry & MOs

Info

ID:	21391
PubChem CID:	588092
Reduced:	SN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	369.090903
ΔH_f, kcal/mol:	-51.45
Dipole, Da:	5.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.269340
Charge, e:	1

Chem-info

IUPAC name:

1-hydroxy-5-(4-propan-2-ylphenoxy)sulfonylnaphthalene-2-diazonium

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3O)[N+]#N

DOS

IR

Vibrations