Geometry & MOs

Info

ID:

300855

PubChem CID:

123055214

Reduced:

N2O7H28C30 (1)

Stoich.:

A2B7C28D30 (1)

Weight, g/mol:

545.168581

ΔHf, kcal/mol:

-213.09

Dipole, Da:

15.83

IP(EA), eV:

 -8.4(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(3E)-1-(1,3-benzodioxol-5-yl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)NC(=O)C)C4=CC(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations