Geometry & MOs

Info

ID:	301157
PubChem CID:	123060513
Reduced:	NO4H31C33 (1)
Stoich.:	AB4C31D33 (1)
Weight, g/mol:	547.220617
ΔH_f, kcal/mol:	-65.1
Dipole, Da:	7.68
IP(EA), eV:	-8.74(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)C(C)C)/O

DOS

IR

Vibrations