Geometry & MOs

Info

ID:	339325
PubChem CID:	127261159
Reduced:	SO5C13H20 (1)
Stoich.:	AB5C13D20 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-206.08
Dipole, Da:	5.94
IP(EA), eV:	-9.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-ethoxyethoxy)benzoate

Drug info:

PubChemData

Smile

CCOCCOC1=C(C=CC(=C1)C)S(=O)(=O)OCC

DOS

IR

Vibrations