Geometry & MOs

Info

ID:	83595
PubChem CID:	49858494
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	565.252311
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	4.1
IP(EA), eV:	-9.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H](NC(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations