Geometry & MOs

Info

ID:

300829

PubChem CID:

123055141

Reduced:

NO8H27C30 (1)

Stoich.:

AB8C27D30 (1)

Weight, g/mol:

515.158017

ΔHf, kcal/mol:

-231.84

Dipole, Da:

10.39

IP(EA), eV:

 -8.19(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)OC(=O)C)/O

DOS

IR

Vibrations