Geometry & MOs

Info

ID:	158883
PubChem CID:	57244137
Reduced:	SO4C8H8 (1)
Stoich.:	AB4C8D8 (1)
Weight, g/mol:	341.132196
ΔH_f, kcal/mol:	-137.7
Dipole, Da:	5.45
IP(EA), eV:	-8.69(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CS(=O)O)C(=O)O

DOS

IR

Vibrations