Geometry & MOs

Info

ID:	158606
PubChem CID:	56464299
Reduced:	BrN2S2O5C16H23 (1)
Stoich.:	AB2C2D5E16F23 (1)
Weight, g/mol:	402.128314
ΔH_f, kcal/mol:	-194.36
Dipole, Da:	11.29
IP(EA), eV:	-10.05(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations