Geometry & MOs

Info

ID:	158198
PubChem CID:	56463145
Reduced:	SN2F3O5C20H21 (1)
Stoich.:	AB2C3D5E20F21 (1)
Weight, g/mol:	402.128314
ΔH_f, kcal/mol:	-327.01
Dipole, Da:	3.46
IP(EA), eV:	-9.6(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations