Geometry & MOs

Info

ID:	149078
PubChem CID:	53788749
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	391.130266
ΔH_f, kcal/mol:	-27.56
Dipole, Da:	5.94
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[5-(1,3-benzothiazol-2-yl)penta-1,3-dienyl]-3,4-diethyl-1,3-benzothiazol-3-ium

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=C(C3=CC=CC=C3N2C)C(=O)C(=O)N(C)C

DOS

IR

Vibrations