Geometry & MOs

Info

ID:	389424
PubChem CID:	134992847
Reduced:	SO3C10H12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	222.06193
ΔH_f, kcal/mol:	-86.37
Dipole, Da:	4.63
IP(EA), eV:	-10.0(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-methoxyoctane

Drug info:

PubChemData

Smile

C1COC1CS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations