Geometry & MOs

Info

ID:	79088
PubChem CID:	49746755
Reduced:	SO3N5C12H13 (1)
Stoich.:	AB3C5D12E13 (1)
Weight, g/mol:	425.011616
ΔH_f, kcal/mol:	35.39
Dipole, Da:	3.66
IP(EA), eV:	-10.18(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations