Geometry & MOs

Info

ID:	393567
PubChem CID:	135021044
Reduced:	O2H18C21 (1)
Stoich.:	A2B18C21 (1)
Weight, g/mol:	417.138344
ΔH_f, kcal/mol:	13.94
Dipole, Da:	3.98
IP(EA), eV:	-9.33(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-3,4,5-triacetyloxy-6-(2-azidoethoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)[C@@]1(C[C@H]2C3=CC=CC=C3C[C@@H]1O2)C#CC4=CC=CC=C4

DOS

IR

Vibrations