Geometry & MOs

Info

ID:	82693
PubChem CID:	49856352
Reduced:	Cl2O8H18C19 (1)
Stoich.:	A2B8C18D19 (1)
Weight, g/mol:	592.134754
ΔH_f, kcal/mol:	-313.14
Dipole, Da:	9.6
IP(EA), eV:	-9.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C=C(C=C2Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)C(=O)O

DOS

IR

Vibrations