Geometry & MOs

Info

ID:	128512
PubChem CID:	51047972
Reduced:	NO6C32H33 (1)
Stoich.:	AB6C32D33 (1)
Weight, g/mol:	483.204573
ΔH_f, kcal/mol:	-167.34
Dipole, Da:	7.16
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-benzyl-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC4=C(C=C3)OC(C4)C)/O)/C(=O)C(=O)N2CC5=CC=CC=C5)OC

DOS

IR

Vibrations