Geometry & MOs

Info

ID:	79085
PubChem CID:	49746748
Reduced:	SF3O4N5H12C16 (1)
Stoich.:	AB3C4D5E12F16 (1)
Weight, g/mol:	385.084475
ΔH_f, kcal/mol:	-157.13
Dipole, Da:	1.94
IP(EA), eV:	-10.31(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]sulfonylphenyl]ethanone

Drug info:

PubChemData

Smile

C1C(CN1S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations