Geometry & MOs

Info

ID:	32001
PubChem CID:	3727094
Reduced:	SN2O2F6C20H20 (1)
Stoich.:	AB2C2D6E20F20 (1)
Weight, g/mol:	449.195071
ΔH_f, kcal/mol:	-353.96
Dipole, Da:	2.93
IP(EA), eV:	-9.06(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy-(4-propoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

DOS

IR

Vibrations