Geometry & MOs

Info

ID:

124886

PubChem CID:

50901378

Reduced:

Si3O10C58H110 (1)

Stoich.:

A3B10C58D110 (1)

Weight, g/mol:

466.256668

ΔHf, kcal/mol:

-681.03

Dipole, Da:

3.13

IP(EA), eV:

 -8.92(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (4S,4aS,6R,8S,8aR)-8-methoxy-6-[(2S)-2-methoxy-3-phenylmethoxypropyl]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C(=C/C(=C/[C@@H](C)[C@@H](/C=C/C(=C/CCC[C@H](C[C@@H](C[C@]1([C@@H]([C@H]([C@H]([C@H](O1)C[C@H](COC)O[Si](C)(C)C(C)(C)C)C)O[Si](CC)(CC)CC)C)OC)O[Si](CC)(CC)CC)OC)/C)O)/C)/C)/C

DOS

IR

Vibrations