Geometry & MOs

Info

ID:	207970
PubChem CID:	80475298
Reduced:	BrNOSC11H18 (1)
Stoich.:	ABCDE11F18 (1)
Weight, g/mol:	273.020812
ΔH_f, kcal/mol:	-39.58
Dipole, Da:	3.79
IP(EA), eV:	-9.14(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNCC(C)(C1=C(C=CS1)Br)O

DOS

IR

Vibrations