Geometry & MOs

Info

ID:

410152

PubChem CID:

135082943

Reduced:

BSi2O6C56H69 (1)

Stoich.:

AB2C6D56E69 (1)

Weight, g/mol:

480.34109

ΔHf, kcal/mol:

-319.09

Dipole, Da:

5.1

IP(EA), eV:

 -8.91(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-butyl-2-[[(1R,2S,6R,7S)-1,10,10-trimethyl-2-phenyl-3,5-dioxa-4-boratricyclo[5.2.1.02,6]decan-4-yl]methyl]hept-2-enoate

Drug info:

PubChemData

Smile

B1(O[C@@H]2[C@H]3CC[C@@]([C@@]2(O1)C4=CC=CC=C4)(C3(C)C)C)CC(=C(CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)CO[Si](C7=CC=CC=C7)(C8=CC=CC=C8)C(C)(C)C)C(=O)OCC

DOS

IR

Vibrations