Geometry & MOs

Info

ID:

394468

PubChem CID:

135023033

Reduced:

BrSSiO6C27H35 (1)

Stoich.:

ABCD6E27F35 (1)

Weight, g/mol:

692.297652

ΔHf, kcal/mol:

-266.1

Dipole, Da:

1.84

IP(EA), eV:

 -9.03(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-1-[[(6S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-6-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-2-diazonioethenolate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1[C@H]2C(COC(O2)C3=CC=CC=C3)O[C@@H](C1OC(=O)CBr)SC4=CC=CC=C4

DOS

IR

Vibrations