Geometry & MOs

Info

ID:	31874
PubChem CID:	3722004
Reduced:	SN2O3H26C33 (1)
Stoich.:	AB2C3D26E33 (1)
Weight, g/mol:	424.028456
ΔH_f, kcal/mol:	69.21
Dipole, Da:	6.89
IP(EA), eV:	-8.6(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfonylimino-4-oxo-2-pyridin-1-ium-1-ylnaphthalen-1-olate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=N2)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C#N

DOS

IR

Vibrations