Geometry & MOs

Info

ID:

128028

PubChem CID:

51027507

Reduced:

O11C25H30 (1)

Stoich.:

A11B25C30 (1)

Weight, g/mol:

429.157623

ΔHf, kcal/mol:

-426.01

Dipole, Da:

1.4

IP(EA), eV:

 -9.25(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,2R,6R,7R)-6-benzoyl-4,5-dioxo-3-phenyl-3-azatricyclo[5.2.2.02,6]undec-8-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O[C@H]2C=CC[C@@H]3C=CC=C[C@H]2C3=O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations