Geometry & MOs

Info

ID:

405016

PubChem CID:

135072130

Reduced:

NC9H9 (2)

Stoich.:

AB9C9 (2)

Weight, g/mol:

660.384616

ΔHf, kcal/mol:

107.33

Dipole, Da:

3.02

IP(EA), eV:

 -9.25(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-4-[(4-methoxyphenyl)methoxy]-1-[(2S,3R)-3-[(1Z)-octa-1,7-dienyl]oxiran-2-yl]butan-2-yl] 2-[tert-butyl(dimethyl)silyl]oxy-6-[(1E,3Z)-penta-1,3-dienyl]benzoate

Drug info:

PubChemData

Smile

[C-]#[N+]CCCC(=NCC1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations