Geometry & MOs

Info

ID:

58178

PubChem CID:

24430809

Reduced:

SN3O3H25C26 (1)

Stoich.:

AB3C3D25E26 (1)

Weight, g/mol:

465.118084

ΔHf, kcal/mol:

-38.94

Dipole, Da:

3.46

IP(EA), eV:

 -8.83(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(5Z)-3-(2,6-dimethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C\2/C(=O)N(/C(=C(\C#N)/C(=O)N3CCOCC3)/S2)C4=C(C=CC=C4C)C

DOS

IR

Vibrations