Geometry & MOs

Info

ID:

382339

PubChem CID:

134973425

Reduced:

SiO13C45H50 (1)

Stoich.:

AB13C45D50 (1)

Weight, g/mol:

712.215591

ΔHf, kcal/mol:

-512.87

Dipole, Da:

2.61

IP(EA), eV:

 -8.75(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,4S,5S)-4-benzoyloxy-5-hydroxy-2-methoxy-6-[(1R,2R)-1,2,3-tribenzoyloxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]1C[C@](OC([C@H]1OC(=O)C2=CC=CC=C2)[C@@H]([C@@H](COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)(C(=O)OC)OC

DOS

IR

Vibrations