Geometry & MOs

Info

ID:	51965
PubChem CID:	12014736
Reduced:	ClISN2H18C19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	341.087922
ΔH_f, kcal/mol:	222.57
Dipole, Da:	29.03
IP(EA), eV:	-6.33(-3.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-chlorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylpyridin-1-ium-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC=CC=[N+]2N(C)C3=CC=C(C=C3)Cl.[I-]

DOS

IR

Vibrations