Geometry & MOs

Info

ID:

47355

PubChem CID:

10531828

Reduced:

ClN4O7H25C32 (1)

Stoich.:

AB4C7D25E32 (1)

Weight, g/mol:

613.32827

ΔHf, kcal/mol:

-139.53

Dipole, Da:

9.4

IP(EA), eV:

 -9.97(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3Cl)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations