Geometry & MOs

Info

ID:	303670
PubChem CID:	124490028
Reduced:	NO8C12H25 (1)
Stoich.:	AB8C12D25 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-392.95
Dipole, Da:	4.28
IP(EA), eV:	-10.08(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[(1S,3S,5R)-3,5-dimethyl-2-oxocyclohexyl]-2-(2,6-dioxopiperidin-4-yl)ethyl] acetate

Drug info:

PubChemData

Smile

CC(C)(CO)[C@@H](C(=O)NC[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O)O

DOS

IR

Vibrations