Geometry & MOs

Info

ID:	51962
PubChem CID:	12014733
Reduced:	SCl2N2H12C17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	420.02958
ΔH_f, kcal/mol:	97.03
Dipole, Da:	4.18
IP(EA), eV:	-8.42(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)-[2-(4-methylphenyl)sulfanylquinolin-1-ium-1-yl]azanide

Drug info:

PubChemData

Smile

C1=CC=[N+](C(=C1)SC2=CC=C(C=C2)Cl)[N-]C3=CC=C(C=C3)Cl

DOS

IR

Vibrations