Geometry & MOs

Info

ID:	256059
PubChem CID:	103136758
Reduced:	SO4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	258.056195
ΔH_f, kcal/mol:	-140.6
Dipole, Da:	6.15
IP(EA), eV:	-8.89(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-methyloxolan-2-yl)methylsulfinyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)C2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations