Geometry & MOs

Info

ID:	300626
PubChem CID:	123046238
Reduced:	BrNO6H20C25 (1)
Stoich.:	ABC6D20E25 (1)
Weight, g/mol:	520.14818
ΔH_f, kcal/mol:	-136.22
Dipole, Da:	7.49
IP(EA), eV:	-8.84(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-1-(4-ethoxyphenyl)-5-(4-hydroxy-3-nitrophenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)O)/O

DOS

IR

Vibrations