Geometry & MOs

Info

ID:

127913

PubChem CID:

51022811

Reduced:

NO3C15H15 (1)

Stoich.:

AB3C15D15 (1)

Weight, g/mol:

588.235933

ΔHf, kcal/mol:

-3.5

Dipole, Da:

4.78

IP(EA), eV:

 -10.2(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,4S,6S,7S,7aS)-2,2-dimethyl-6-[[(1S,2R,4R,5S,6S)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-yl]oxy]-4-(trityloxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol

Drug info:

PubChemData

Smile

C1C[C@H]2C=C[C@@H]1C[C@@]2(C(=O)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations