Geometry & MOs

Info

ID:

300672

PubChem CID:

123050747

Reduced:

NO6H25C31 (1)

Stoich.:

AB6C25D31 (1)

Weight, g/mol:

482.147786

ΔHf, kcal/mol:

-129.03

Dipole, Da:

8.66

IP(EA), eV:

 -8.72(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(3Z)-1-(4-cyanophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC(=O)C)/O

DOS

IR

Vibrations