Geometry & MOs

Info

ID:

58175

PubChem CID:

24430802

Reduced:

SN3O5C26H27 (1)

Stoich.:

AB3C5D26E27 (1)

Weight, g/mol:

407.097349

ΔHf, kcal/mol:

-107.37

Dipole, Da:

5.23

IP(EA), eV:

 -8.91(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-cyano-N-(2-methoxyethyl)-2-[(5Z)-3-(2-methoxyethyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

Drug info:

PubChemData

Smile

COCCNC(=O)/C(=C\1/N(C(=O)/C(=C/C2=CC(=CC=C2)OCC3=CC=CC=C3)/S1)CCOC)/C#N

DOS

IR

Vibrations