Geometry & MOs

Info

ID:	79100
PubChem CID:	49746798
Reduced:	OSN3H7C9 (2)
Stoich.:	ABC3D7E9 (2)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	113.38
Dipole, Da:	3.79
IP(EA), eV:	-8.84(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1C(=O)CSC2=NC3=CC=CC=C3S2)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations