Geometry & MOs

Info

ID:	348005
PubChem CID:	127273067
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-69.8
Dipole, Da:	5.74
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N2CCN(CC2)CC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations