Geometry & MOs

Info

ID:

400164

PubChem CID:

135046140

Reduced:

NSiO8C28H37 (1)

Stoich.:

ABC8D28E37 (1)

Weight, g/mol:

687.307897

ΔHf, kcal/mol:

-260.07

Dipole, Da:

5.86

IP(EA), eV:

 -9.29(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl [(2S,5Z,13E)-12-(methoxycarbonylamino)-9-triethylsilyloxy-2-trimethylsilyloxy-13-(2-trimethylsilyloxyethylidene)-11-bicyclo[7.3.1]trideca-1(12),5,10-trien-3,7-diynyl] carbonate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC\12C=C(C(=C(/C1=C\CO)[C@H](C#C/C=C\C#C2)O)NC(=O)OC)OC(=O)OC(C)(C)C

DOS

IR

Vibrations