Geometry & MOs

Info

ID:

162586

PubChem CID:

57395149

Reduced:

ON3C12H15 (1)

Stoich.:

AB3C12D15 (1)

Weight, g/mol:

484.238058

ΔHf, kcal/mol:

51.38

Dipole, Da:

8.8

IP(EA), eV:

 -7.95(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN/C(=C/N=O)/N(C1)CC2=CC=CC=C2

DOS

IR

Vibrations