Geometry & MOs

Info

ID:	315963
PubChem CID:	126629495
Reduced:	OC9H12 (1)
Stoich.:	AB9C12 (1)
Weight, g/mol:	296.12936
ΔH_f, kcal/mol:	-24.55
Dipole, Da:	2.16
IP(EA), eV:	-8.18(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyloxy-2-ethyl-6-hydroxyoctane-1-sulfonic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C=C1)OCC2

DOS

IR

Vibrations