Geometry & MOs

Info

ID:	301134
PubChem CID:	123060005
Reduced:	ClN2O5H25C28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	514.226786
ΔH_f, kcal/mol:	-133.06
Dipole, Da:	10.47
IP(EA), eV:	-8.68(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-fluorophenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)NC(=O)C)C4=CC=C(C=C4)Cl)/O

DOS

IR

Vibrations