Geometry & MOs

Info

ID:

170077

PubChem CID:

75193768

Reduced:

ClF3O3N4H18C27 (1)

Stoich.:

AB3C3D4E18F27 (1)

Weight, g/mol:

522.131503

ΔHf, kcal/mol:

-153.7

Dipole, Da:

8.42

IP(EA), eV:

 -8.98(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=CC=C3Cl)C=C4C(=O)N(C(=O)N4)CC5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations