Geometry & MOs

Info

ID:	400583
PubChem CID:	135048404
Reduced:	BC16H27 (1)
Stoich.:	AB16C27 (1)
Weight, g/mol:	468.304077
ΔH_f, kcal/mol:	-45.11
Dipole, Da:	0.47
IP(EA), eV:	-9.27(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-bis(9-borabicyclo[3.3.1]nonan-9-yl)butyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)C[C@H]3C[C@H]4CC[C@@H]3C4

DOS

IR

Vibrations