Geometry & MOs

Info

ID:	34051
PubChem CID:	7889612
Reduced:	SN3O6C17H17 (1)
Stoich.:	AB3C6D17E17 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-190.87
Dipole, Da:	12.48
IP(EA), eV:	-9.1(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-benzamidoacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

DOS

IR

Vibrations