Geometry & MOs

Info

ID:	176767
PubChem CID:	76096316
Reduced:	O7C11H14 (2)
Stoich.:	A7B11C14 (2)
Weight, g/mol:	212.051858
ΔH_f, kcal/mol:	-543.02
Dipole, Da:	6.58
IP(EA), eV:	-9.93(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoroethylsulfanyl)-3,4,5-trihydroxypentan-2-one

Drug info:

PubChemData

Smile

CC(=O)C(=O)C(C(=O)C)(C(C(=O)C)(C(C(=O)C)(C(CO)(C(=O)C)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations