Geometry & MOs

Info

ID:

15965

PubChem CID:

456591

Reduced:

N5O13C22H43 (1)

Stoich.:

A5B13C22D43 (1)

Weight, g/mol:

585.285736

ΔHf, kcal/mol:

-595.09

Dipole, Da:

9.25

IP(EA), eV:

 -9.29(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-[(1R,2S,3S,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

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)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)C(CCN)O

DOS

IR

Vibrations