Geometry & MOs

Info

ID:

381659

PubChem CID:

134972457

Reduced:

O18C27H38 (1)

Stoich.:

A18B27C38 (1)

Weight, g/mol:

813.248014

ΔHf, kcal/mol:

-816.56

Dipole, Da:

1.12

IP(EA), eV:

 -10.52(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6R)-3,4-diacetyloxy-6-[2-acetyloxy-2-[(2S,5S)-3,4-diacetyloxy-5-phenylmethoxyoxolan-2-yl]ethoxy]-5-(1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@H](O1)OCC([C@H]2C(C([C@@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations