Geometry & MOs

Info

ID:	70022
PubChem CID:	47206849
Reduced:	NS2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	300.10046
ΔH_f, kcal/mol:	-78.28
Dipole, Da:	8.19
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC1=CSC(=N1)C2=CC=CC=C2OC

DOS

IR

Vibrations