Geometry & MOs

Info

ID:

176041

PubChem CID:

75987651

Reduced:

NPSiO15C68H90 (1)

Stoich.:

ABCD15E68F90 (1)

Weight, g/mol:

1118.461285

ΔHf, kcal/mol:

-642.45

Dipole, Da:

6.99

IP(EA), eV:

 -8.57(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[[5-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-hydroxyphosphoryl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate

Drug info:

PubChemData

Smile

CCN(CC)CC.CC(=O)OC1C(C(C(C(O1)COCC2=CC=CC=C2)OP(=O)(O)OC3C(C(C(C(O3)COCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations