Geometry & MOs

Info

ID:

87163

PubChem CID:

49892808

Reduced:

NSCl3O4H20C29 (1)

Stoich.:

ABC3D4E20F29 (1)

Weight, g/mol:

645.89795

ΔHf, kcal/mol:

-72.09

Dipole, Da:

5.54

IP(EA), eV:

 -9.1(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)Cl)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations