Geometry & MOs

Info

ID:

127727

PubChem CID:

51012849

Reduced:

NF2O3C23H27 (1)

Stoich.:

AB2C3D23E27 (1)

Weight, g/mol:

558.204284

ΔHf, kcal/mol:

-182.44

Dipole, Da:

1.41

IP(EA), eV:

 -8.84(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3-dimethylbutan-2-yl-dimethyl-[[(1S,9S,10S)-4-methyl-5-propan-2-yloxy-8,11-dioxa-6-aza-2-azoniatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl]methoxy]silane;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CN1[C@@H]2C[C@@H](C[C@H]1[C@@H](C2)OCOC)OC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations