Geometry & MOs

Info

ID:	146249
PubChem CID:	53659284
Reduced:	FNO6H18C24 (1)
Stoich.:	ABC6D18E24 (1)
Weight, g/mol:	534.413169
ΔH_f, kcal/mol:	-176.32
Dipole, Da:	8.31
IP(EA), eV:	-9.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5R,6R)-2-(1-hydroxy-3-icosoxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](C(=O)O)OC2=C(C(=CC(=C2)OCC3=CC4=C(C=C3)OCO4)F)C#N

DOS

IR

Vibrations