Geometry & MOs

Info

ID:	61422
PubChem CID:	26709145
Reduced:	FSO3N4C23H29 (1)
Stoich.:	ABC3D4E23F29 (1)
Weight, g/mol:	409.191403
ΔH_f, kcal/mol:	-119.96
Dipole, Da:	6.97
IP(EA), eV:	-7.98(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations