Geometry & MOs

Info

ID:	25447
PubChem CID:	625192
Reduced:	O3H6C8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	438.239369
ΔH_f, kcal/mol:	-155.84
Dipole, Da:	4.72
IP(EA), eV:	-8.27(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-borabicyclo[3.3.1]nonan-9-yl 3-[2-(9-borabicyclo[3.3.1]nonan-9-yloxy)phenyl]propanedithioate

Drug info:

PubChemData

Smile

COC1=C2C(=C(C(=C(O2)C3=CC=CC=C3)O)O)C(=CC1=O)O

DOS

IR

Vibrations