Geometry & MOs

Info

ID:	51961
PubChem CID:	12014732
Reduced:	ClSN2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	346.009825
ΔH_f, kcal/mol:	107.75
Dipole, Da:	4.29
IP(EA), eV:	-8.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[2-(4-chlorophenyl)sulfanylpyridin-1-ium-1-yl]azanide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=CC=CC=[N+]2[N-]C3=CC=C(C=C3)Cl

DOS

IR

Vibrations