Geometry & MOs

Info

ID:	385257
PubChem CID:	134978629
Reduced:	BSO4C12H25 (1)
Stoich.:	ABC4D12E25 (1)
Weight, g/mol:	182.184195
ΔH_f, kcal/mol:	-272.85
Dipole, Da:	4.08
IP(EA), eV:	-9.5(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3-triethyl-1,4-dimethyl-1-oxonia-2-boranuidacyclopent-3-ene

Drug info:

PubChemData

Smile

B(CCSCC(=O)O)(OCCCC)OCCCC

DOS

IR

Vibrations