Geometry & MOs

Info

ID:

32274

PubChem CID:

6436282

Reduced:

N2O3C20H22 (1)

Stoich.:

A2B3C20D22 (1)

Weight, g/mol:

430.139269

ΔHf, kcal/mol:

33.93

Dipole, Da:

3.11

IP(EA), eV:

 -8.37(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]trideca-1,7,9,11-tetraen-4-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C/C=C/1\CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=C4C=C(C=C5)O)C(=O)OC

DOS

IR

Vibrations