Geometry & MOs

Info

ID:

88189

PubChem CID:

49902224

Reduced:

NSBr2Cl2O4H19C26 (1)

Stoich.:

ABC2D2E4F19G26 (1)

Weight, g/mol:

560.98125

ΔHf, kcal/mol:

-83.07

Dipole, Da:

6.25

IP(EA), eV:

 -9.05(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)Br)OCC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations