Geometry & MOs

Info

ID:	82048
PubChem CID:	49855523
Reduced:	SF3N4O4H15C21 (1)
Stoich.:	AB3C4D4E15F21 (1)
Weight, g/mol:	458.195405
ΔH_f, kcal/mol:	-191.04
Dipole, Da:	11.02
IP(EA), eV:	-9.03(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C3=NC=C(S3)C)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations