Geometry & MOs

Info

ID:

322405

PubChem CID:

126670032

Reduced:

N2O2C21H32 (1)

Stoich.:

A2B2C21D32 (1)

Weight, g/mol:

484.274879

ΔHf, kcal/mol:

-78.36

Dipole, Da:

4.54

IP(EA), eV:

 -8.88(0.46)

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] 3-[2-(3,3-difluoroazetidin-1-yl)ethyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC(C2)CCC3CN(C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations