Geometry & MOs

Info

ID:

381660

PubChem CID:

134972458

Reduced:

NO18C39H43 (1)

Stoich.:

AB18C39D43 (1)

Weight, g/mol:

592.200335

ΔHf, kcal/mol:

-736.66

Dipole, Da:

3.9

IP(EA), eV:

 -9.7(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6R)-4,5-diacetyloxy-6-[2-acetyloxy-2-[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]ethoxy]-2-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCC([C@H]2C(C([C@H](O2)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C)N4C(=O)C5=CC=CC=C5C4=O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations