Geometry & MOs

Info

ID:	89005
PubChem CID:	49958681
Reduced:	ClSN2O2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	194.051384
ΔH_f, kcal/mol:	15.01
Dipole, Da:	5.25
IP(EA), eV:	-8.94(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propyl-5-thiophen-2-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(O2)C3=CC=CS3

DOS

IR

Vibrations