Geometry & MOs

Info

ID:

83193

PubChem CID:

49857266

Reduced:

Si2O6C49H84 (1)

Stoich.:

A2B6C49D84 (1)

Weight, g/mol:

512.313789

ΔHf, kcal/mol:

-397.2

Dipole, Da:

2.2

IP(EA), eV:

 -8.54(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4S,6S)-7-[(2S,4R)-2-[(4-methoxyphenyl)methoxymethyl]-4-methyl-3,4-dihydro-2H-pyran-6-yl]-2,6-dimethyl-1-phenylmethoxyheptane-3,4-diol

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](OC(=C1)C[C@@H](C)C[C@@H]([C@H]([C@@H](C)COCC2=CC=CC=C2)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C)COCC3=CC=C(C=C3)OC

DOS

IR

Vibrations