Geometry & MOs

Info

ID:	402628
PubChem CID:	135056637
Reduced:	OSC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	245.996311
ΔH_f, kcal/mol:	-45.69
Dipole, Da:	2.48
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4,5-trihydroxy-2-oxopentyl)sulfanylphosphonic acid

Drug info:

PubChemData

Smile

C[C@@]1(SCCC[S@]1=O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations