Geometry & MOs

Info

ID:

87139

PubChem CID:

49892617

Reduced:

NSCl2O3C29H29 (1)

Stoich.:

ABC2D3E29F29 (1)

Weight, g/mol:

660.88645

ΔHf, kcal/mol:

-108.89

Dipole, Da:

3.99

IP(EA), eV:

 -9.07(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)/C=C\5/C(=O)N(C(=O)S5)CC6=C(C=C(C=C6)Cl)Cl

DOS

IR

Vibrations