Geometry & MOs

Info

ID:	59758
PubChem CID:	24896095
Reduced:	SO5N6C24H32 (1)
Stoich.:	AB5C6D24E32 (1)
Weight, g/mol:	438.186732
ΔH_f, kcal/mol:	-132.52
Dipole, Da:	13.46
IP(EA), eV:	-9.17(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCCN4CCCC4=O)OCC)C

DOS

IR

Vibrations