Geometry & MOs

Info

ID:	18268
PubChem CID:	539295
Reduced:	SO3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	224.050715
ΔH_f, kcal/mol:	-100.68
Dipole, Da:	2.18
IP(EA), eV:	-8.84(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-3-phenylsulfanylpropyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)CSC1=CC=CC=C1

DOS

IR

Vibrations