Geometry & MOs

Info

ID:

390641

PubChem CID:

135000113

Reduced:

F17O25C116H135 (1)

Stoich.:

A17B25C116D135 (1)

Weight, g/mol:

903.397366

ΔHf, kcal/mol:

-1772.52

Dipole, Da:

5.91

IP(EA), eV:

 -9.21(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[6-(acetyloxymethyl)-3-azido-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]oxy-5-benzoyloxy-6-pent-4-enoxy-4-phenylmethoxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1C(C(C(OC1OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OCC4C(C(C(C(O4)OCCC/C=C\CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C)(C)C)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C(C)(C)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OC(=O)C(C)(C)C)OCC9=CC=CC=C9)OCC1=CC=CC=C1)CO)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations