Geometry & MOs

Info

ID:	144859
PubChem CID:	53425565
Reduced:	ClNOH8C10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	572.08169
ΔH_f, kcal/mol:	3.09
Dipole, Da:	5.87
IP(EA), eV:	-8.82(-1.09)
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)methylidene]-5-methylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;iodide

Drug info:

PubChemData

Smile

COC1=CC2=CN=C(C=C2C=C1)Cl

DOS

IR

Vibrations