Geometry & MOs

Info

ID:	199316
PubChem CID:	79229940
Reduced:	SO5C11H12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	270.056195
ΔH_f, kcal/mol:	-187.69
Dipole, Da:	2.27
IP(EA), eV:	-9.13(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonyl)propanoic acid

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)CS(=O)(=O)CC(=O)O

DOS

IR

Vibrations