Geometry & MOs

Info

ID:	160976
PubChem CID:	57390409
Reduced:	O2F3N7H24C31 (1)
Stoich.:	A2B3C7D24E31 (1)
Weight, g/mol:	396.034684
ΔH_f, kcal/mol:	-51.98
Dipole, Da:	5.94
IP(EA), eV:	-9.05(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C4=NC5=CNN(C5=NC(=O)C4)CC6=CC=CC=C6

DOS

IR

Vibrations