Geometry & MOs

Info

ID:	11712
PubChem CID:	119487
Reduced:	IN2S2C25H27 (1)
Stoich.:	AB2C2D25E27 (1)
Weight, g/mol:	546.06604
ΔH_f, kcal/mol:	99.07
Dipole, Da:	2.36
IP(EA), eV:	-7.86(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCC.[I-]

DOS

IR

Vibrations