Geometry & MOs

Info

ID:

86559

PubChem CID:

49887103

Reduced:

ClSN3O8H18C25 (1)

Stoich.:

ABC3D8E18F25 (1)

Weight, g/mol:

449.085242

ΔHf, kcal/mol:

-80.97

Dipole, Da:

7.87

IP(EA), eV:

 -9.78(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-[(3-methylphenyl)methoxy]phenyl]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=CC=C3Cl)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations