Geometry & MOs

Info

ID:	60562
PubChem CID:	26697193
Reduced:	ClFN2S2O3C19H22 (1)
Stoich.:	ABC2D2E3F19G22 (1)
Weight, g/mol:	464.07693
ΔH_f, kcal/mol:	-144.73
Dipole, Da:	4.6
IP(EA), eV:	-8.56(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@@H](CCSC)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations