Geometry & MOs

Info

ID:	161399
PubChem CID:	57391542
Reduced:	FON5H16C22 (1)
Stoich.:	ABC5D16E22 (1)
Weight, g/mol:	340.152203
ΔH_f, kcal/mol:	63.07
Dipole, Da:	4.66
IP(EA), eV:	-8.6(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-hydroxy-3-(3-methylbut-2-enyl)phenoxy]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CN1C=CC2=C(C=CC=C2C1=O)CC3=NN=C4N3N=C(C=C4)C5=CC(=CC=C5)F

DOS

IR

Vibrations