Geometry & MOs

Info

ID:	121340
PubChem CID:	50764386
Reduced:	SF3N3O6H20C24 (1)
Stoich.:	AB3C3D6E20F24 (1)
Weight, g/mol:	506.119082
ΔH_f, kcal/mol:	-275.34
Dipole, Da:	8.23
IP(EA), eV:	-9.15(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC(=C(C=C1)OCC2=CC(=O)N3C(=N2)C=C(O3)C)NC(=O)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations