Geometry & MOs

Info

ID:	51966
PubChem CID:	12014737
Reduced:	ClSN2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	561.95753
ΔH_f, kcal/mol:	87.88
Dipole, Da:	4.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.010585
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-N-methyl-2-(4-methylphenyl)sulfanylquinolin-1-ium-1-amine;iodide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations