Geometry & MOs

Info

ID:

53616

PubChem CID:

14717162

Reduced:

ClO2N5C32H50 (1)

Stoich.:

AB2C5D32E50 (1)

Weight, g/mol:

499.993667

ΔHf, kcal/mol:

-48.52

Dipole, Da:

12.22

IP(EA), eV:

 -8.93(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

potassium;3-[(2E)-2-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate

Drug info:

PubChemData

Smile

CCCCC(C(=O)NCCCC1=NN=C2N1NC(=C2Cl)C(C)C)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

DOS

IR

Vibrations