Geometry & MOs

Info

ID:	407748
PubChem CID:	135080503
Reduced:	SO2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	220.111087
ΔH_f, kcal/mol:	-49.21
Dipole, Da:	4.99
IP(EA), eV:	-9.38(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-tert-butyl 1-O-methyl (2S)-2-ethyl-2-fluoropropanedioate

Drug info:

PubChemData

Smile

C1CC(=CC(=O)C1)OCC2=CC=CS2

DOS

IR

Vibrations