Geometry & MOs

Info

ID:	197755
PubChem CID:	78991868
Reduced:	SN2O4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	272.051858
ΔH_f, kcal/mol:	-145.42
Dipole, Da:	6.9
IP(EA), eV:	-9.54(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-fluorophenyl)methyl]-1,1-dioxothiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CC2(CCS(=O)(=O)C2)C(=O)O

DOS

IR

Vibrations