Geometry & MOs

Info

ID:	61672
PubChem CID:	26711670
Reduced:	FCl2N2S2O3C19H21 (1)
Stoich.:	AB2C2D2E3F19G21 (1)
Weight, g/mol:	498.03795
ΔH_f, kcal/mol:	-151.56
Dipole, Da:	3.44
IP(EA), eV:	-8.77(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NCCC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations