Geometry & MOs

Info

ID:	16985
PubChem CID:	481712
Reduced:	BOSN3H10C12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	255.063763
ΔH_f, kcal/mol:	-23.27
Dipole, Da:	2.02
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-2-pyridin-3-yl-2,4,1-benzodiazaborinine-3-thiol

Drug info:

PubChemData

Smile

B1(C2=CC=CC=C2N=C(N1C3=CN=CC=C3)S)O

DOS

IR

Vibrations