Geometry & MOs

Info

ID:	237603
PubChem CID:	92719952
Reduced:	FON5H22C24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	449.141866
ΔH_f, kcal/mol:	58.95
Dipole, Da:	3.24
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-(2-chloro-4-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=N2)[C@@H](C3=CC=C(C=C3)F)C4=NN=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations