Geometry & MOs

Info

ID:	347627
PubChem CID:	127272493
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	8.35
IP(EA), eV:	-9.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-5-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations