Geometry & MOs

Info

ID:

300828

PubChem CID:

123055139

Reduced:

NO6C31H31 (1)

Stoich.:

AB6C31D31 (1)

Weight, g/mol:

529.173667

ΔHf, kcal/mol:

-180.31

Dipole, Da:

9.11

IP(EA), eV:

 -8.53(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(3E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)OC(=O)C

DOS

IR

Vibrations