Geometry & MOs

Info

ID:	32987
PubChem CID:	7849976
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	339.114044
ΔH_f, kcal/mol:	-58.59
Dipole, Da:	3.01
IP(EA), eV:	-9.61(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-piperidin-1-ylethyl) 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2

DOS

IR

Vibrations