Geometry & MOs

Info

ID:	196946
PubChem CID:	78899966
Reduced:	ClN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	419.21303
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	1.29
IP(EA), eV:	-8.12(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentylsulfonyl-1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)N(C)CC(=O)NC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations