Geometry & MOs

Info

ID:	79093
PubChem CID:	49746773
Reduced:	SO3N5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	401.07939
ΔH_f, kcal/mol:	-3.12
Dipole, Da:	2.99
IP(EA), eV:	-10.16(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)S(=O)(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations