Geometry & MOs

Info

ID:	79077
PubChem CID:	49746718
Reduced:	SO5N6H12C15 (1)
Stoich.:	AB5C6D12E15 (1)
Weight, g/mol:	400.095374
ΔH_f, kcal/mol:	46.44
Dipole, Da:	3.03
IP(EA), eV:	-10.37(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations