Geometry & MOs

Info

ID:	352761
PubChem CID:	127283850
Reduced:	BrO2S2N3C11H12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	330.12628
ΔH_f, kcal/mol:	35.91
Dipole, Da:	2.0
IP(EA), eV:	-8.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-thiophen-2-yl-5-[1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CS(=O)CCN1CC2=NC(=NO2)C3=CC(=CS3)Br

DOS

IR

Vibrations