Geometry & MOs

Info

ID:	79078
PubChem CID:	49746719
Reduced:	SO4N6H16C17 (1)
Stoich.:	AB4C6D16E17 (1)
Weight, g/mol:	403.09504
ΔH_f, kcal/mol:	-6.14
Dipole, Da:	8.6
IP(EA), eV:	-9.66(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations