Geometry & MOs

Info

ID:	368632
PubChem CID:	127329702
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	341.115775
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	4.34
IP(EA), eV:	-8.8(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)NC2CCN3C2CCCC3

DOS

IR

Vibrations