Geometry & MOs

Info

ID:	135902
PubChem CID:	51955015
Reduced:	SN2O3C8H8 (2)
Stoich.:	AB2C3D8E8 (2)
Weight, g/mol:	401.117605
ΔH_f, kcal/mol:	-94.97
Dipole, Da:	6.92
IP(EA), eV:	-9.95(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(4-acetamido-3-chlorophenyl)-1-propylsulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC=C)C(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations