Geometry & MOs

Info

ID:

82851

PubChem CID:

49856670

Reduced:

SF3N4O5H25C27 (1)

Stoich.:

AB3C4D5E25F27 (1)

Weight, g/mol:

482.156575

ΔHf, kcal/mol:

-262.28

Dipole, Da:

4.76

IP(EA), eV:

 -9.6(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z,5S)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[6-(trifluoromethyl)pyridin-3-yl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2[C@@H](C(=C(C2=O)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)C(C)C)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations