Geometry & MOs

Info

ID:

58174

PubChem CID:

24430800

Reduced:

SF3N3O4C20H20 (1)

Stoich.:

AB3C3D4E20F20 (1)

Weight, g/mol:

493.167142

ΔHf, kcal/mol:

-254.74

Dipole, Da:

7.63

IP(EA), eV:

 -9.06(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)/C(=C\1/N(C(=O)/C(=C/C2=CC=CC=C2C(F)(F)F)/S1)CCOC)/C#N

DOS

IR

Vibrations