Geometry & MOs

Info

ID:	222492
PubChem CID:	85300915
Reduced:	O7C17H28 (1)
Stoich.:	A7B17C28 (1)
Weight, g/mol:	344.12936
ΔH_f, kcal/mol:	-272.15
Dipole, Da:	2.13
IP(EA), eV:	-9.64(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-5-methyl-3-(4-methylphenyl)sulfonyloxyhexanoate

Drug info:

PubChemData

Smile

COCOC1C2C3CC(C2C(C(C1OCOC)OCOC)O)C=C3

DOS

IR

Vibrations