Geometry & MOs

Info

ID:	84513
PubChem CID:	49867105
Reduced:	SnN2O5C8H17 (1)
Stoich.:	AB2C5D8E17 (1)
Weight, g/mol:	273.999468
ΔH_f, kcal/mol:	-188.57
Dipole, Da:	3.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751575
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6S)-3,4,6-trihydroxy-5-sulfooxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C(CO[Sn])N[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)N

DOS

IR

Vibrations