Geometry & MOs

Info

ID:	288100
PubChem CID:	104311142
Reduced:	OSBr2N4H8C12 (1)
Stoich.:	ABC2D4E8F12 (1)
Weight, g/mol:	344.9749
ΔH_f, kcal/mol:	101.13
Dipole, Da:	2.99
IP(EA), eV:	-9.33(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(C2=NC(=NO2)C3=C(C=C(C=N3)Br)Br)N

DOS

IR

Vibrations