Geometry & MOs

Info

ID:	32964
PubChem CID:	7849722
Reduced:	NO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	367.145344
ΔH_f, kcal/mol:	-117.91
Dipole, Da:	5.72
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=CC=CC=C2C(=O)C

DOS

IR

Vibrations