Geometry & MOs

Info

ID:	82225
PubChem CID:	49855779
Reduced:	BrO10C20H23 (1)
Stoich.:	AB10C20D23 (1)
Weight, g/mol:	536.00849
ΔH_f, kcal/mol:	-426.87
Dipole, Da:	2.34
IP(EA), eV:	-9.26(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2=CC=C(C=C2)Br)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations