Geometry & MOs

Info

ID:	231868
PubChem CID:	87574821
Reduced:	ClO2H3F6C10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	282.11371
ΔH_f, kcal/mol:	-352.3
Dipole, Da:	3.25
IP(EA), eV:	-10.81(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(5-sulfanylpentoxy)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)C(F)(F)F)C(=O)C(F)(F)F)Cl

DOS

IR

Vibrations