Geometry & MOs

Info

ID:

45218

PubChem CID:

10509629

Reduced:

BrSi2N4O8C36H61 (1)

Stoich.:

AB2C4D8E36F61 (1)

Weight, g/mol:

815.98766

ΔHf, kcal/mol:

-456.32

Dipole, Da:

2.03

IP(EA), eV:

 -8.75(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,3aS,4R,5R,6R,7aS)-5-acetyloxy-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-4-iodo-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran-6-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)C(C)(C)[Si](C)(C)OC[C@H]1C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)OC3=NC=NC4=C3N=C(N4[C@H]5[C@H]6[C@@H]([C@H](O5)CO[Si](C)(C)C(C)(C)C)OC(O6)(C)C)Br

DOS

IR

Vibrations