Geometry & MOs

Info

ID:

177394

PubChem CID:

76180269

Reduced:

ClS2N3O4H16C21 (1)

Stoich.:

AB2C3D4E16F21 (1)

Weight, g/mol:

487.042726

ΔHf, kcal/mol:

-72.94

Dipole, Da:

7.82

IP(EA), eV:

 -9.58(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-hydroxybutylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)C1=C(CCN2C(=O)C(=CC3=CC=C(C=C3)Cl)SC2=S)O)C)C#N

DOS

IR

Vibrations