Geometry & MOs

Info

ID:

323717

PubChem CID:

126675813

Reduced:

N9O10C18H25 (1)

Stoich.:

A9B10C18D25 (1)

Weight, g/mol:

507.146223

ΔHf, kcal/mol:

-232.36

Dipole, Da:

3.47

IP(EA), eV:

 -9.83(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S)-3-azido-2-[(1R,3R,4R)-2,3-diacetyloxy-4,6-diazidocyclohexyl]oxy-6-formyl-3,4-dihydro-2H-pyran-4-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@@H](CC([C@H](C1OC(=O)C)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)OC(=O)C)N=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-]

DOS

IR

Vibrations