Geometry & MOs

Info

ID:

300838

PubChem CID:

123055163

Reduced:

N2O7H28C30 (1)

Stoich.:

A2B7C28D30 (1)

Weight, g/mol:

529.210052

ΔHf, kcal/mol:

-211.6

Dipole, Da:

8.1

IP(EA), eV:

 -8.18(-0.96)

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-(4-propan-2-yloxyphenyl)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)NC(=O)C)C4=CC=C(C=C4)OC(=O)C)/O

DOS

IR

Vibrations