Geometry & MOs

Info

ID:

7092

PubChem CID:

71201

Reduced:

N5O10C18H37 (1)

Stoich.:

A5B10C18D37 (1)

Weight, g/mol:

483.254042

ΔHf, kcal/mol:

-452.64

Dipole, Da:

5.99

IP(EA), eV:

 -9.67(0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@@H](C([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N

DOS

IR

Vibrations