Geometry & MOs

Info

ID:

390109

PubChem CID:

134997112

Reduced:

NOC15H15 (1)

Stoich.:

ABC15D15 (1)

Weight, g/mol:

1654.570321

ΔHf, kcal/mol:

38.27

Dipole, Da:

1.83

IP(EA), eV:

-9.06(-0.39)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[2-[[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2,2-dimethylpropanoyloxy)-4-(4-oxopentanoyloxy)-5-phenylmethoxyoxan-2-yl]oxymethyl]-5-(2,2-dimethylpropanoyloxy)-6-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-3-phenylmethoxyoxan-4-yl] 4-oxopentanoate

Drug info:

PubChemData

Smile

C=CC1=COC(=N1)/C=C/CCC2=CC=CC=C2

DOS

IR

Vibrations