Geometry & MOs

Info

ID:

3970

PubChem CID:

10511

Reduced:

NO9C25H41 (1)

Stoich.:

AB9C25D41 (1)

Weight, g/mol:

499.278132

ΔHf, kcal/mol:

-290.71

Dipole, Da:

6.36

IP(EA), eV:

 -8.86(1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,5R,8R,10R,17S)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol

Drug info:

PubChemData

Smile

CCN1CC2([C@H]3C(C4[C@@H]1C3([C@@H]5C[C@]6(C([C@@H]5[C@@]4(C(C6OC)O)O)O)O)C(CC2O)OC)OC)COC

DOS

IR

Vibrations