Geometry & MOs

Info

ID:	46236
PubChem CID:	10523451
Reduced:	BSiO2C22H39 (1)
Stoich.:	ABC2D22E39 (1)
Weight, g/mol:	374.118795
ΔH_f, kcal/mol:	-155.65
Dipole, Da:	4.09
IP(EA), eV:	-9.15(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-2-(4-methylphenyl)sulfonyloxyhex-5-en-3-yl] benzoate

Drug info:

PubChemData

Smile

B(C1CCCCC1)(C2CCCCC2)/C(=C/C/C=C/C(=O)OC)/[Si](C)(C)C

DOS

IR

Vibrations