Geometry & MOs

Info

ID:	31875
PubChem CID:	3722008
Reduced:	ClSN2O4H13C21 (1)
Stoich.:	ABC2D4E13F21 (1)
Weight, g/mol:	425.036281
ΔH_f, kcal/mol:	-31.85
Dipole, Da:	7.25
IP(EA), eV:	-9.1(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-chloro-N-(1,4-dioxo-3-pyridin-1-ium-1-ylnaphthalen-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=C(C=C4)Cl)[O-]

DOS

IR

Vibrations