Geometry & MOs

Info

ID:	237606
PubChem CID:	92719963
Reduced:	BrON3H20C23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	492.0961
ΔH_f, kcal/mol:	86.56
Dipole, Da:	5.97
IP(EA), eV:	-9.54(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-(4-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N[C@H](C2=CC=C(C=C2)Br)C3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations