Geometry & MOs

Info

ID:	220471
PubChem CID:	85195481
Reduced:	F2O4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	224.025563
ΔH_f, kcal/mol:	-272.22
Dipole, Da:	3.14
IP(EA), eV:	-10.93(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-sulfanylidene-1,2,4-oxadiazolidin-3-yl)benzoic acid

Drug info:

PubChemData

Smile

CC(=O)OC(CC(=C)C(=O)OC)C(F)F

DOS

IR

Vibrations