Geometry & MOs

Info

ID:	196563
PubChem CID:	78848647
Reduced:	SF3N6H11C15 (1)
Stoich.:	AB3C6D11E15 (1)
Weight, g/mol:	400.168145
ΔH_f, kcal/mol:	-1.64
Dipole, Da:	6.29
IP(EA), eV:	-9.65(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-5-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C=CCN1C(=NN=C1SC2=NC=CC(=N2)C(F)(F)F)C3=CC=NC=C3

DOS

IR

Vibrations