Geometry & MOs

Info

ID:	300712
PubChem CID:	123050993
Reduced:	FNCl2O3H18C25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	472.179835
ΔH_f, kcal/mol:	-96.01
Dipole, Da:	5.88
IP(EA), eV:	-8.72(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations