Geometry & MOs

Info

ID:	300995
PubChem CID:	123058957
Reduced:	NO6C33H37 (1)
Stoich.:	AB6C33D37 (1)
Weight, g/mol:	537.196294
ΔH_f, kcal/mol:	-182.34
Dipole, Da:	8.22
IP(EA), eV:	-8.6(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3,4-difluorophenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(3-ethoxy-4-propoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OCC)/O)/C(=O)C(=O)N2C4=CC=C(C=C4)C(C)C)OCC

DOS

IR

Vibrations