Geometry & MOs

Info

ID:	166540
PubChem CID:	74705714
Reduced:	FN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	404.129811
ΔH_f, kcal/mol:	-41.92
Dipole, Da:	3.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753372
Charge, e:	-1

Chem-info

IUPAC name:

(3-fluoro-4-methylphenyl)-[1-(furan-2-ylmethyl)-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

C#CCOCC(C[NH+]1CCN(CC1)C2=CC=C(C=C2)F)O

DOS

IR

Vibrations