Geometry & MOs

Info

ID:	82389
PubChem CID:	49855971
Reduced:	BrCl2O10C20H21 (1)
Stoich.:	AB2C10D20E21 (1)
Weight, g/mol:	592.134754
ΔH_f, kcal/mol:	-436.85
Dipole, Da:	6.09
IP(EA), eV:	-9.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-chloro-4-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations