Geometry & MOs

Info

ID:

58179

PubChem CID:

24430811

Reduced:

S2N3O3H23C24 (1)

Stoich.:

A2B3C3D23E24 (1)

Weight, g/mol:

497.04088

ΔHf, kcal/mol:

-36.72

Dipole, Da:

4.26

IP(EA), eV:

 -8.71(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N\2C(=O)/C(=C/C3=CC=C(S3)C)/S/C2=C(/C#N)\C(=O)N4CCOCC4

DOS

IR

Vibrations