Geometry & MOs

Info

ID:	365995
PubChem CID:	127319300
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	286.088832
ΔH_f, kcal/mol:	-15.04
Dipole, Da:	8.59
IP(EA), eV:	-9.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyrazol-1-ylmethyl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(C1)S(=O)(=O)CC2=NC(=NO2)CN3C=CC=N3

DOS

IR

Vibrations