Geometry & MOs

Info

ID:

88202

PubChem CID:

49902273

Reduced:

BrNSO4H8C12 (2)

Stoich.:

ABCD4E8F12 (2)

Weight, g/mol:

462.960348

ΔHf, kcal/mol:

-132.11

Dipole, Da:

4.33

IP(EA), eV:

 -9.49(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(3-chlorophenyl)methyl]-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-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=CC=C(C=C3)Br)Br)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations