Geometry & MOs

Info

ID:

127905

PubChem CID:

51022589

Reduced:

NO3C9H15 (1)

Stoich.:

AB3C9D15 (1)

Weight, g/mol:

846.547005

ΔHf, kcal/mol:

-145.07

Dipole, Da:

3.65

IP(EA), eV:

-9.7(0.43)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1S,3R,4S,5S,6S,7R)-3-[3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-7-ethenyl-5-[(E)-oct-6-enyl]-7-triethylsilyloxy-6-(2-triethylsilyloxyethyl)bicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@H]2[C@@H](CC[C@@H]1N2)O

DOS

IR

Vibrations