Geometry & MOs

Info

ID:	418271
PubChem CID:	135104035
Reduced:	SN2O6C16H24 (1)
Stoich.:	AB2C6D16E24 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-224.8
Dipole, Da:	4.67
IP(EA), eV:	-9.0(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S,2S,4R)-2-benzyl-2-(piperidine-1-carbonyl)-7-azabicyclo[2.2.1]heptane-7-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)COC2=CC=CC(=C2)OC

DOS

IR

Vibrations