Geometry & MOs

Info

ID:

381541

PubChem CID:

134972309

Reduced:

NCl3O11C43H44 (1)

Stoich.:

AB3C11D43E44 (1)

Weight, g/mol:

317.96787

ΔHf, kcal/mol:

-360.43

Dipole, Da:

4.96

IP(EA), eV:

 -9.34(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[bromo(difluoro)methyl]-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene

Drug info:

PubChemData

Smile

CC1[C@@H](C(C([C@@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C2=CC=CC=C2)O[C@H]3C(C([C@H](CO3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C

DOS

IR

Vibrations