Geometry & MOs

Info

ID:

323714

PubChem CID:

126675806

Reduced:

SN9O12C19H27 (1)

Stoich.:

AB9C12D19E27 (1)

Weight, g/mol:

401.140744

ΔHf, kcal/mol:

-323.53

Dipole, Da:

6.45

IP(EA), eV:

 -9.97(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R,6S)-5-azido-6-[(1R,3R,4R)-4,6-diazido-2,3-dihydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations