Geometry & MOs

Info

ID:

134498

PubChem CID:

51706539

Reduced:

NO8C26H33 (1)

Stoich.:

AB8C26D33 (1)

Weight, g/mol:

486.179087

ΔHf, kcal/mol:

-316.99

Dipole, Da:

7.39

IP(EA), eV:

 -8.51(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-methylphenyl] (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOCCOC(=O)C1=C(NC2=C([C@@H]1C3=C(C=C(C=C3)OC)OC)C(=O)[C@@H]([C@@H](C2)C)C(=O)OC)C

DOS

IR

Vibrations