Geometry & MOs

Info

ID:	405691
PubChem CID:	135075012
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	282.095082
ΔH_f, kcal/mol:	-57.66
Dipole, Da:	4.69
IP(EA), eV:	-9.08(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-2-[(3R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCCC#C/C(=N\C(=O)OCC)/C1=CC=C(C=C1)OC

DOS

IR

Vibrations