Geometry & MOs

Info

ID:	344872
PubChem CID:	127268632
Reduced:	SN4O4C14H24 (1)
Stoich.:	AB4C4D14E24 (1)
Weight, g/mol:	330.136176
ΔH_f, kcal/mol:	-116.71
Dipole, Da:	4.33
IP(EA), eV:	-9.32(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[4-(oxolan-2-ylmethylsulfonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)CC3CCCCO3

DOS

IR

Vibrations