Geometry & MOs

Info

ID:	31367
PubChem CID:	855627
Reduced:	ClON3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	337.065176
ΔH_f, kcal/mol:	32.92
Dipole, Da:	2.73
IP(EA), eV:	-8.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=NNC(=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations