Geometry & MOs

Info

ID:	7917
PubChem CID:	74455
Reduced:	BrN2S2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	458.0486
ΔH_f, kcal/mol:	50.77
Dipole, Da:	5.98
IP(EA), eV:	-7.38(-0.66)
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)-2-methylprop-2-enylidene]-1,3-benzothiazole;bromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations