Geometry & MOs

Info

ID:

82352

PubChem CID:

49855925

Reduced:

NSiO8C46H55 (1)

Stoich.:

ABC8D46E55 (1)

Weight, g/mol:

378.204239

ΔHf, kcal/mol:

-253.34

Dipole, Da:

3.93

IP(EA), eV:

 -8.03(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1S,5R)-5-[(8R,9S)-9-methyl-9-(2-oxoethyl)-1,4-dioxaspiro[4.4]nonan-8-yl]-3-oxo-8-oxabicyclo[3.2.1]octan-1-yl]butanal

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)[C@@]23C=C[C@@]4(O2)C5=C(C6=C(C=C(C=C6OCC7=CC=CC=C7)C)C(=C35)OC)OCC[Si]4(C)C)N(C)C(=O)OC(C)(C)C)OCC8=CC=CC=C8

DOS

IR

Vibrations