Geometry & MOs

Info

ID:	327510
PubChem CID:	126690182
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	455.00298
ΔH_f, kcal/mol:	-22.65
Dipole, Da:	3.44
IP(EA), eV:	-9.45(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-iodoethyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC=C1OC(=C)C2=NC=NN2C)CCC3=CC=C(C=C3)F

DOS

IR

Vibrations