Geometry & MOs

Info

ID:

381020

PubChem CID:

134971645

Reduced:

SiO8C50H56 (1)

Stoich.:

AB8C50D56 (1)

Weight, g/mol:

812.374445

ΔHf, kcal/mol:

-254.63

Dipole, Da:

6.22

IP(EA), eV:

 -9.07(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R)-3-[(2S,3R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,6-dihydro-2H-pyran-3-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3C=C[C@@H]([C@H](O3)OC)[C@@H]4C(C([C@H](OC4=O)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations