Geometry & MOs

Info

ID:	123048
PubChem CID:	50831452
Reduced:	ClOF3N6C21H22 (1)
Stoich.:	ABC3D6E21F22 (1)
Weight, g/mol:	458.142405
ΔH_f, kcal/mol:	-124.24
Dipole, Da:	5.95
IP(EA), eV:	-8.93(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)N2CCN(CC2)CCN3C4=C(C=CC=N4)N=C3C(F)(F)F

DOS

IR

Vibrations