Geometry & MOs

Info

ID:	385278
PubChem CID:	134978677
Reduced:	BBrO2C12H24 (1)
Stoich.:	ABC2D12E24 (1)
Weight, g/mol:	268.166831
ΔH_f, kcal/mol:	-196.81
Dipole, Da:	4.08
IP(EA), eV:	-9.42(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-4-(2-ethylsulfanylethyl)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Drug info:

PubChemData

Smile

B(C(/C=C/C)Br)(OC(C)(C)C)OC(C)(C)C

DOS

IR

Vibrations