Geometry & MOs

Info

ID:	405438
PubChem CID:	135073986
Reduced:	N3O5C6H11 (1)
Stoich.:	A3B5C6D11 (1)
Weight, g/mol:	296.125988
ΔH_f, kcal/mol:	-154.98
Dipole, Da:	2.75
IP(EA), eV:	-10.04(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-5-(2-hydroxy-1-phenylmethoxybut-3-enyl)oxolane-2,3,4-triol

Drug info:

PubChemData

Smile

C(C([C@@H]1C(C([C@@H](O1)O)O)O)N=[N+]=[N-])O

DOS

IR

Vibrations