Geometry & MOs

Info

ID:

393196

PubChem CID:

135019697

Reduced:

NO2I3C26H34 (1)

Stoich.:

AB2C3D26E34 (1)

Weight, g/mol:

457.246438

ΔHf, kcal/mol:

-53.01

Dipole, Da:

3.71

IP(EA), eV:

 -8.77(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S,6E,8S,9S,12R,13E,15E)-5,9-dihydroxy-12,20-dimethoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione

Drug info:

PubChemData

Smile

CCCCC1=C(C(=C(N1C(=O)OC(C)(C)C)CC2=CC=CC=C2)/C(=C(/CCCC)\I)/I)I

DOS

IR

Vibrations