Geometry & MOs

Info

ID:	344873
PubChem CID:	127268633
Reduced:	SN4O4C13H22 (1)
Stoich.:	AB4C4D13E22 (1)
Weight, g/mol:	342.172562
ΔH_f, kcal/mol:	-110.91
Dipole, Da:	3.8
IP(EA), eV:	-9.33(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)S(=O)(=O)CC3CCCO3

DOS

IR

Vibrations