Geometry & MOs

Info

ID:	166077
PubChem CID:	74635166
Reduced:	FNO6H23C30 (1)
Stoich.:	ABC6D23E30 (1)
Weight, g/mol:	513.158766
ΔH_f, kcal/mol:	-119.37
Dipole, Da:	9.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767447
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CC=CO3)C4=CC=C(C=C4)OCC5=CC=CC=C5)[O-])F

DOS

IR

Vibrations