Geometry & MOs

Info

ID:	322389
PubChem CID:	126669979
Reduced:	OF2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	436.257337
ΔH_f, kcal/mol:	-112.67
Dipole, Da:	3.5
IP(EA), eV:	-9.37(0.14)
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-(ethylcarbamoyl)azetidine-1-carboxylate

Drug info:

PubChemData

Smile

COCC(C1=CC=C(C=C1)CC=C2CCC2)(F)F

DOS

IR

Vibrations