Geometry & MOs

Info

ID:

53479

PubChem CID:

14716264

Reduced:

ClS2N3O3H20C24 (1)

Stoich.:

AB2C3D3E20F24 (1)

Weight, g/mol:

643.97787

ΔHf, kcal/mol:

-18.73

Dipole, Da:

4.36

IP(EA), eV:

 -8.15(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

potassium;3-[(2Z)-2-[(E,4Z)-3-benzyl-4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-2-enylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonate

Drug info:

PubChemData

Smile

C/C(=C\C=C/1\N(C2=C(S1)C=CC(=C2)Cl)C)/C=C/3\C(=O)N(C(=S)N3CC(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations