Geometry & MOs

Info

ID:	344871
PubChem CID:	127268631
Reduced:	SN2O5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	-115.61
Dipole, Da:	3.44
IP(EA), eV:	-9.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations