Geometry & MOs

Info

ID:	79084
PubChem CID:	49746739
Reduced:	SO4N5C17H17 (1)
Stoich.:	AB4C5D17E17 (1)
Weight, g/mol:	427.05621
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	7.46
IP(EA), eV:	-9.31(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations