Geometry & MOs

Info

ID:

300851

PubChem CID:

123055206

Reduced:

NO6H27C32 (1)

Stoich.:

AB6C27D32 (1)

Weight, g/mol:

529.210052

ΔHf, kcal/mol:

-140.43

Dipole, Da:

11.98

IP(EA), eV:

 -8.72(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(3Z)-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=CC4=CC=CC=C43)C5=CC(=CC=C5)OC(=O)C)/O

DOS

IR

Vibrations