Geometry & MOs

Info

ID:

322408

PubChem CID:

126670043

Reduced:

N2O6C27H44 (1)

Stoich.:

A2B6C27D44 (1)

Weight, g/mol:

464.325023

ΔHf, kcal/mol:

-229.48

Dipole, Da:

4.5

IP(EA), eV:

 -8.87(0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (2R)-2-(diethylaminomethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC[C@@H](C4)CCN5CCOCC5)OC)C

DOS

IR

Vibrations