Geometry & MOs

Info

ID:

45088

PubChem CID:

10507903

Reduced:

BO2Si2C36H75 (1)

Stoich.:

AB2C2D36E75 (1)

Weight, g/mol:

607.02827

ΔHf, kcal/mol:

-323.52

Dipole, Da:

2.34

IP(EA), eV:

 -8.68(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-[(Z)-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one;iodide

Drug info:

PubChemData

Smile

B(CCC[C@H](CCC)O[Si](C)(C)C(C)(C)C)(CCC[C@H](CCC)O[Si](C)(C)C(C)(C)C)C1C[C@@H]2C[C@H](C1C)C2(C)C

DOS

IR

Vibrations