Geometry & MOs

Info

ID:	158202
PubChem CID:	56463154
Reduced:	FN2S2O5C16H23 (1)
Stoich.:	AB2C2D5E16F23 (1)
Weight, g/mol:	402.128314
ΔH_f, kcal/mol:	-242.77
Dipole, Da:	3.73
IP(EA), eV:	-9.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F

DOS

IR

Vibrations