Geometry & MOs

Info

ID:

380792

PubChem CID:

134971353

Reduced:

NO9H25C28 (1)

Stoich.:

AB9C25D28 (1)

Weight, g/mol:

742.338454

ΔHf, kcal/mol:

-294.05

Dipole, Da:

6.71

IP(EA), eV:

 -10.02(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4R,6S)-3-benzoyloxy-6-[(3R,4R,6R)-4-methoxy-2-methyl-6-[[(3R)-2-methyl-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-2-methyloxan-4-yl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N[C@]2([C@H]([C@H](OC2=O)[C@@H](CO)O)OC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

DOS

IR

Vibrations