Geometry & MOs

Info

ID:	21383
PubChem CID:	588070
Reduced:	SN2O6H16C20 (1)
Stoich.:	AB2C6D16E20 (1)
Weight, g/mol:	412.072907
ΔH_f, kcal/mol:	-129.53
Dipole, Da:	3.65
IP(EA), eV:	-9.61(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-diazonio-5-(4-propoxycarbonylphenoxy)sulfonylnaphthalen-1-olate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N

DOS

IR

Vibrations