Geometry & MOs

Info

ID:

127561

PubChem CID:

51006133

Reduced:

N2O5C22H26 (1)

Stoich.:

A2B5C22D26 (1)

Weight, g/mol:

479.209658

ΔHf, kcal/mol:

-151.49

Dipole, Da:

4.71

IP(EA), eV:

 -8.62(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,8S,9R,13S)-11-[2-(2-methoxyphenyl)prop-2-enoyl]-1-phenyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-9-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@H]4[C@@H]3C(=NO4)C5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations