Geometry & MOs

Info

ID:

127848

PubChem CID:

51019404

Reduced:

N2O7C32H34 (1)

Stoich.:

A2B7C32D34 (1)

Weight, g/mol:

514.30831

ΔHf, kcal/mol:

-177.25

Dipole, Da:

4.63

IP(EA), eV:

 -8.3(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,3S,4S,5S,6R,7S,14R,15S,16R,17R,18R,19R,20S,21R,22S)-22-(acetyloxymethyl)-5,16-dimethyl-21-nonacyclo[18.2.2.13,18.17,14.02,19.04,17.05,16.06,15.08,13]hexacosa-8,10,12-trienyl]methyl acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC2=C1OCO2)/C=C/3\[C@@H]4C5=C(C[C@H](N4)C(=O)N3CC6=CC=CC=C6)C(=C(C(=C5OC)OC)C)OC)OC

DOS

IR

Vibrations