Geometry & MOs

Info

ID:	37736
PubChem CID:	8023827
Reduced:	NO5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	284.125988
ΔH_f, kcal/mol:	-114.49
Dipole, Da:	7.53
IP(EA), eV:	-9.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5S,6S)-2-(3-ethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)COC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations