Geometry & MOs

Info

ID:

44805

PubChem CID:

10506007

Reduced:

FNSiO5C28H38 (1)

Stoich.:

ABCD5E28F38 (1)

Weight, g/mol:

515.317672

ΔHf, kcal/mol:

-304.26

Dipole, Da:

1.69

IP(EA), eV:

 -9.01(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R,4aR,7S,7aR,12bS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methyl-11-tritio-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H](C[C@H](C1=O)C2=CC(=CC=C2)OC3=CC=C(C=C3)F)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations