Geometry & MOs

Info

ID:

300839

PubChem CID:

123055164

Reduced:

NO7C31H31 (1)

Stoich.:

AB7C31D31 (1)

Weight, g/mol:

529.210052

ΔHf, kcal/mol:

-215.36

Dipole, Da:

7.98

IP(EA), eV:

 -8.08(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(3E)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxo-1-(2-propoxyphenyl)pyrrolidin-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=CC=C(C=C3)OC(C)C)C4=CC=C(C=C4)OC(=O)C)/O

DOS

IR

Vibrations