Geometry & MOs

Info

ID:	204719
PubChem CID:	79999912
Reduced:	SN2O2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	363.95173
ΔH_f, kcal/mol:	9.63
Dipole, Da:	4.38
IP(EA), eV:	-8.59(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)CC2=NC3=C(C=CC=C3O2)N

DOS

IR

Vibrations