Geometry & MOs

Info

ID:	197756
PubChem CID:	78991869
Reduced:	FSO4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	206.06128
ΔH_f, kcal/mol:	-200.79
Dipole, Da:	4.5
IP(EA), eV:	-9.97(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-3-propylthiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1(CC2=CC=CC=C2F)C(=O)O

DOS

IR

Vibrations