Geometry & MOs

Info

ID:

170076

PubChem CID:

75193767

Reduced:

ClF3O3N4H20C24 (1)

Stoich.:

AB3C3D4E20F24 (1)

Weight, g/mol:

538.101953

ΔHf, kcal/mol:

-200.79

Dipole, Da:

10.61

IP(EA), eV:

 -9.11(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-(2-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C=C3C(=O)N(C(=O)N3)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations