Geometry & MOs

Info

ID:	122836
PubChem CID:	50823616
Reduced:	BrSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	476.118812
ΔH_f, kcal/mol:	-116.5
Dipole, Da:	7.0
IP(EA), eV:	-9.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations