Geometry & MOs

Info

ID:	310061
PubChem CID:	126573453
Reduced:	NSO5C7H11 (1)
Stoich.:	ABC5D7E11 (1)
Weight, g/mol:	462.309372
ΔH_f, kcal/mol:	-184.04
Dipole, Da:	8.08
IP(EA), eV:	-10.18(-0.14)
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] 3-(2-pyrrolidin-1-ylethyl)azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC=C1CN(C1)C(=O)O

DOS

IR

Vibrations