Geometry & MOs

Info

ID:	60447
PubChem CID:	26686574
Reduced:	ClON3H22C23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	447.06557
ΔH_f, kcal/mol:	47.58
Dipole, Da:	4.41
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3,4-oxadiazol-2-yl)phenyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Cl)NCC2=CC=C(C=C2)OCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations