Geometry & MOs

Info

ID:	79104
PubChem CID:	49746805
Reduced:	SO2N9C13H13 (1)
Stoich.:	AB2C9D13E13 (1)
Weight, g/mol:	367.083602
ΔH_f, kcal/mol:	138.34
Dipole, Da:	4.03
IP(EA), eV:	-9.38(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chlorophenyl)-1-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations