Geometry & MOs

Info

ID:	60679
PubChem CID:	26697403
Reduced:	ClN2S2O3C12H17 (1)
Stoich.:	AB2C2D3E12F17 (1)
Weight, g/mol:	428.07693
ΔH_f, kcal/mol:	-105.84
Dipole, Da:	3.28
IP(EA), eV:	-9.69(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-cyclopentyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CCCC1)S(=O)(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations