Geometry & MOs

Info

ID:	70088
PubChem CID:	47207509
Reduced:	NSO4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	243.997634
ΔH_f, kcal/mol:	-158.37
Dipole, Da:	4.45
IP(EA), eV:	-9.67(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfonylmethyl)-5-thiophen-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOCCS(=O)(=O)CC1=CC(=CC=C1)C(=O)N

DOS

IR

Vibrations