Geometry & MOs

Info

ID:	70124
PubChem CID:	47207955
Reduced:	N2O5C12H12 (1)
Stoich.:	A2B5C12D12 (1)
Weight, g/mol:	334.021262
ΔH_f, kcal/mol:	-183.0
Dipole, Da:	8.33
IP(EA), eV:	-9.58(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(=O)N1C2=CC=C(C=C2)C(=O)OCC(=O)N

DOS

IR

Vibrations