Geometry & MOs

Info

ID:	31512
PubChem CID:	855809
Reduced:	OSCl2N3H7C15 (1)
Stoich.:	ABC2D3E7F15 (1)
Weight, g/mol:	326.028062
ΔH_f, kcal/mol:	76.27
Dipole, Da:	3.82
IP(EA), eV:	-9.26(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-6-methyl-1-benzothiophen-2-yl)-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)SC(=C2Cl)C3=NN=C(O3)C4=CC=NC=C4

DOS

IR

Vibrations