Geometry & MOs

Info

ID:	294454
PubChem CID:	117461969
Reduced:	SO5C13H18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	286.087495
ΔH_f, kcal/mol:	-206.66
Dipole, Da:	5.29
IP(EA), eV:	-9.45(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=C(C=CC(=C1)S(=O)(=O)C)OC

DOS

IR

Vibrations