Geometry & MOs

Info

ID:	341814
PubChem CID:	127264507
Reduced:	F2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	254.043618
ΔH_f, kcal/mol:	-215.47
Dipole, Da:	3.25
IP(EA), eV:	-9.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-thiolate;dihydrate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCCCC(C(=O)O)(F)F

DOS

IR

Vibrations