Geometry & MOs

Info

ID:	60694
PubChem CID:	26697429
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	430.05619
ΔH_f, kcal/mol:	-163.96
Dipole, Da:	4.3
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-cyclopentyl-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)NC2CCCC2)OC

DOS

IR

Vibrations