Geometry & MOs

Info

ID:

82652

PubChem CID:

49856287

Reduced:

F3N3O5H20C25 (1)

Stoich.:

A3B3C5D20E25 (1)

Weight, g/mol:

458.195405

ΔHf, kcal/mol:

-255.8

Dipole, Da:

9.78

IP(EA), eV:

 -9.14(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=NNC(=O)C=C3)C4=CC=C(C=C4)OC(F)(F)F)/O

DOS

IR

Vibrations