Geometry & MOs

Info

ID:	449066
PubChem CID:	135295711
Reduced:	N2H15C17 (2)
Stoich.:	A2B15C17 (2)
Weight, g/mol:	336.062915
ΔH_f, kcal/mol:	161.27
Dipole, Da:	4.68
IP(EA), eV:	-9.28(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-(3-methyl-1,3-benzothiazol-2-ylidene)acetonitrile

Drug info:

PubChemData

Smile

C1CC=CC(C1)C2CCCC=C2C3=NC(=NC(=N3)C4=CC=CC=C4C5=CC=CC=C5)C6=CC=CC(=C6)C#N

DOS

IR

Vibrations