Geometry & MOs

Info

ID:

44849

PubChem CID:

10506168

Reduced:

N2O3C34H36 (1)

Stoich.:

A2B3C34D36 (1)

Weight, g/mol:

521.224306

ΔHf, kcal/mol:

-13.71

Dipole, Da:

1.48

IP(EA), eV:

 -8.78(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4E,6E)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxo(113C)hepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-8-methyldeca-2,4,6-trienamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CN(CCN1CC2=CC(=CC=C2)OC)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations