Geometry & MOs

Info

ID:	4007
PubChem CID:	10578
Reduced:	IN2S2C23H23 (1)
Stoich.:	AB2C2D23E23 (1)
Weight, g/mol:	518.03474
ΔH_f, kcal/mol:	97.71
Dipole, Da:	6.07
IP(EA), eV:	-7.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole;iodide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations