Geometry & MOs

Info

ID:	174515
PubChem CID:	75775698
Reduced:	FO3N5C23H24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	453.163474
ΔH_f, kcal/mol:	-46.48
Dipole, Da:	1.43
IP(EA), eV:	-8.85(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-fluoro-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-3-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CN=CC=C4)F)C(=O)N5CCOCC5

DOS

IR

Vibrations