Geometry & MOs

Info

ID:

405581

PubChem CID:

135074524

Reduced:

N2O3H18C24 (1)

Stoich.:

A2B3C18D24 (1)

Weight, g/mol:

1674.95615

ΔHf, kcal/mol:

130.41

Dipole, Da:

5.26

IP(EA), eV:

-9.48(-1.52)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2R,4R,5S,6S,7R,9R,11R,12S,14S,15S,18E,20E,22R,23R,24Z)-2-[tert-butyl(dimethyl)silyl]oxy-1,14-dimethoxy-5,7,9,19,23-pentamethyl-8,10-dioxo-25-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,6,11,15,22-pentakis(triethylsilyloxy)hexacosa-18,20,24-trien-12-yl] (2E,4E)-5-iodo-2,4-dimethylpenta-2,4-dienoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)O/N=C\C=C\C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations