Geometry & MOs

Info

ID:	158201
PubChem CID:	56463153
Reduced:	SCl2N3O3C18H21 (1)
Stoich.:	AB2C3D3E18F21 (1)
Weight, g/mol:	406.103242
ΔH_f, kcal/mol:	-81.11
Dipole, Da:	6.9
IP(EA), eV:	-9.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)/C=C/C1=C(N(N=C1C)CC2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations