Geometry & MOs

Info

ID:	294701
PubChem CID:	117484079
Reduced:	SO6C13H16 (1)
Stoich.:	AB6C13D16 (1)
Weight, g/mol:	300.066759
ΔH_f, kcal/mol:	-226.64
Dipole, Da:	3.33
IP(EA), eV:	-9.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(1,1-dioxothietan-3-yl)oxyphenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC(=CC=C1)OC2CS(=O)(=O)C2)O

DOS

IR

Vibrations