Geometry & MOs

Info

ID:	82226
PubChem CID:	49855780
Reduced:	BrClO10C20H22 (1)
Stoich.:	ABC10D20E22 (1)
Weight, g/mol:	536.00849
ΔH_f, kcal/mol:	-432.66
Dipole, Da:	3.72
IP(EA), eV:	-9.24(-0.49)
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-3-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=C(C=C(C=C2)Br)Cl)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations