Geometry & MOs

Info

ID:

169102

PubChem CID:

75064032

Reduced:

ClN2O2H11C19 (1)

Stoich.:

AB2C2D11E19 (1)

Weight, g/mol:

578.138397

ΔHf, kcal/mol:

21.26

Dipole, Da:

5.35

IP(EA), eV:

 -9.2(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-chloro-3-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]cyclohex-2-en-1-ylidene]but-2-enylidene]-3-ethyl-1,3-benzothiazole;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)Cl

DOS

IR

Vibrations