Geometry & MOs

Info

ID:	322301
PubChem CID:	126669652
Reduced:	NOC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	464.288637
ΔH_f, kcal/mol:	-31.07
Dipole, Da:	3.04
IP(EA), eV:	-8.55(1.31)
Spin(S_z, 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-hydroxyazetidin-1-yl)ethyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CN1CCC[C@@H]1/C=C/OC

DOS

IR

Vibrations