Geometry & MOs

Info

ID:	79101
PubChem CID:	49746800
Reduced:	SO2N5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	73.54
Dipole, Da:	3.29
IP(EA), eV:	-9.21(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenyloxan-4-yl)-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=CS2)C(=O)N3CC(C3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations