Geometry & MOs

Info

ID:

82391

PubChem CID:

49855973

Reduced:

ClO12C28H29 (1)

Stoich.:

AB12C28D29 (1)

Weight, g/mol:

626.095782

ΔHf, kcal/mol:

-499.49

Dipole, Da:

5.25

IP(EA), eV:

 -9.35(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[3,5-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=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OC)Cl)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations