Geometry & MOs

Info

ID:	300996
PubChem CID:	123058960
Reduced:	NF2O6H29C30 (1)
Stoich.:	AB2C6D29E30 (1)
Weight, g/mol:	545.241352
ΔH_f, kcal/mol:	-246.75
Dipole, Da:	9.37
IP(EA), eV:	-8.77(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(4-butoxy-3-ethoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-(3-methoxyphenyl)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)F)F)OCC

DOS

IR

Vibrations