Geometry & MOs

Info

ID:

45164

PubChem CID:

10508613

Reduced:

FO3C19H37 (1)

Stoich.:

AB3C19D37 (1)

Weight, g/mol:

665.03375

ΔHf, kcal/mol:

-261.37

Dipole, Da:

1.57

IP(EA), eV:

 -10.22(0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2Z)-2-[[(5Z)-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-1,3-thiazol-3-ium-2-yl]methylidene]benzo[g][1,3]benzothiazol-3-yl]propanoic acid;iodide

Drug info:

PubChemData

Smile

CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)OC)O)F

DOS

IR

Vibrations