Geometry & MOs

Info

ID:

124030

PubChem CID:

50870278

Reduced:

SCl2N2O4H22C31 (1)

Stoich.:

AB2C2D4E22F31 (1)

Weight, g/mol:

438.987041

ΔHf, kcal/mol:

-28.58

Dipole, Da:

6.3

IP(EA), eV:

 -8.74(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OCC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations