Geometry & MOs

Info

ID:

85351

PubChem CID:

49874168

Reduced:

NO7C25H41 (1)

Stoich.:

AB7C25D41 (1)

Weight, g/mol:

377.256609

ΔHf, kcal/mol:

-316.43

Dipole, Da:

4.37

IP(EA), eV:

 -8.74(1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,3S,4R,5R,6S,8R,9R,13S,16R,17S)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol

Drug info:

PubChemData

Smile

CCN1C[C@]2(CC[C@H]([C@]34[C@H]2[C@@H]([C@](C31)([C@@]5(C[C@H]([C@@H]6C[C@H]4[C@H]5[C@@H]6OC)OC)O)O)OC)O)COC

DOS

IR

Vibrations