Geometry & MOs

Info

ID:

300988

PubChem CID:

123058888

Reduced:

N2O7C31H32 (1)

Stoich.:

A2B7C31D32 (1)

Weight, g/mol:

531.189317

ΔHf, kcal/mol:

-203.1

Dipole, Da:

9.27

IP(EA), eV:

 -8.63(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(1,3-benzodioxol-5-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-methoxy-3-propoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OCC)\O)/C(=O)C(=O)N2C4=CC=CC(=C4)NC(=O)C)OCC

DOS

IR

Vibrations