Geometry & MOs

Info

ID:	268787
PubChem CID:	103600912
Reduced:	SO2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	240.082016
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	2.9
IP(EA), eV:	-8.86(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-hydroxyethylsulfanyl)-2-phenylacetate

Drug info:

PubChemData

Smile

CCCCSC(C1=CC=CC=C1)C(=O)OCC

DOS

IR

Vibrations