Geometry & MOs

Info

ID:

82392

PubChem CID:

49855974

Reduced:

ClO6C14H14 (2)

Stoich.:

AB6C14D14 (2)

Weight, g/mol:

626.095782

ΔHf, kcal/mol:

-503.79

Dipole, Da:

1.36

IP(EA), eV:

 -9.68(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[2,6-dichloro-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=C(C=C(C=C2Cl)C3=CC=C(C=C3)C(=O)OC)Cl)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations