Geometry & MOs

Info

ID:

127717

PubChem CID:

51012636

Reduced:

NO15C46H47 (1)

Stoich.:

AB15C46D47 (1)

Weight, g/mol:

540.290716

ΔHf, kcal/mol:

-544.84

Dipole, Da:

4.96

IP(EA), eV:

 -9.85(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R,5R,6S)-3-[(1S)-1-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypropyl]-5-triethylsilyl-2,7-dioxabicyclo[4.2.1]nonan-8-one

Drug info:

PubChemData

Smile

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3C([C@@]2(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)OC(=O)C)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

DOS

IR

Vibrations