Geometry & MOs

Info

ID:

58180

PubChem CID:

24430845

Reduced:

BrSN3O3H20C23 (1)

Stoich.:

ABC3D3E20F23 (1)

Weight, g/mol:

487.052418

ΔHf, kcal/mol:

-25.0

Dipole, Da:

2.62

IP(EA), eV:

 -9.03(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N\2C(=O)/C(=C/C3=CC(=CC=C3)Br)/S/C2=C(/C#N)\C(=O)NCCOC

DOS

IR

Vibrations