Geometry & MOs

Info

ID:	337871
PubChem CID:	127258494
Reduced:	ClSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	276.038707
ΔH_f, kcal/mol:	-170.66
Dipole, Da:	5.42
IP(EA), eV:	-10.3(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)sulfanyl-2-fluoroethyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCS(=O)(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations