Geometry & MOs

Info

ID:	172254
PubChem CID:	75486077
Reduced:	BNSF3O4C10H11 (1)
Stoich.:	ABCD3E4F10G11 (1)
Weight, g/mol:	267.081521
ΔH_f, kcal/mol:	-373.77
Dipole, Da:	7.82
IP(EA), eV:	-9.19(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridin-3-yl]boronic acid

Drug info:

PubChemData

Smile

B(C1=CC(=CC(=C1)N2CCCS2(=O)=O)C(F)(F)F)(O)O

DOS

IR

Vibrations