Geometry & MOs

Info

ID:	70117
PubChem CID:	47207871
Reduced:	N2S2O3C9H14 (1)
Stoich.:	A2B2C3D9E14 (1)
Weight, g/mol:	299.093977
ΔH_f, kcal/mol:	-115.2
Dipole, Da:	8.81
IP(EA), eV:	-9.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methyl-1,2-oxazol-5-yl)methylsulfonylmethyl]-5-(2-methylpropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)CS(=O)(=O)CC(=O)N

DOS

IR

Vibrations