Geometry & MOs

Info

ID:	310474
PubChem CID:	126580664
Reduced:	NO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	478.304287
ΔH_f, kcal/mol:	-171.78
Dipole, Da:	1.98
IP(EA), eV:	-9.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)/C=C/C(=O)OC

DOS

IR

Vibrations