Geometry & MOs

Info

ID:	292733
PubChem CID:	117357512
Reduced:	FSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	242.041294
ΔH_f, kcal/mol:	-141.46
Dipole, Da:	5.74
IP(EA), eV:	-9.21(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-fluoro-3-methylsulfanylphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

CSC1=C(C=CC(=C1F)C2(CC2)C(=O)O)O

DOS

IR

Vibrations