Geometry & MOs

Info

ID:	68450
PubChem CID:	46508434
Reduced:	FSO3N5H24C25 (1)
Stoich.:	ABC3D5E24F25 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-57.49
Dipole, Da:	2.27
IP(EA), eV:	-8.67(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)CCC3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations