Geometry & MOs

Info

ID:

397898

PubChem CID:

135030926

Reduced:

SO8C39H44 (1)

Stoich.:

AB8C39D44 (1)

Weight, g/mol:

844.349248

ΔHf, kcal/mol:

-239.28

Dipole, Da:

6.54

IP(EA), eV:

 -8.51(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6S)-2-[(3R,6R)-5-acetyloxy-2-(hydroxymethyl)-3-phenylmethoxy-6-[(2-propan-2-ylsulfanylphenyl)methoxy]oxan-4-yl]oxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)S(=O)C1=CC=CC=C1CO[C@H]2C(C([C@@H](C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C

DOS

IR

Vibrations