Geometry & MOs

Info

ID:	122822
PubChem CID:	50823156
Reduced:	BrSO3N4H13C19 (1)
Stoich.:	ABC3D4E13F19 (1)
Weight, g/mol:	409.089641
ΔH_f, kcal/mol:	46.15
Dipole, Da:	5.51
IP(EA), eV:	-9.34(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(=N3)C4=CC(=CN=C4)Br

DOS

IR

Vibrations