Geometry & MOs

Info

ID:	5682
PubChem CID:	13486
Reduced:	IN2S2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	492.01909
ΔH_f, kcal/mol:	114.37
Dipole, Da:	10.64
IP(EA), eV:	-6.52(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]

DOS

IR

Vibrations