Geometry & MOs

Info

ID:

49516

PubChem CID:

11533156

Reduced:

F3O3N4H23C25 (1)

Stoich.:

A3B3C4D23E25 (1)

Weight, g/mol:

484.238058

ΔHf, kcal/mol:

-186.99

Dipole, Da:

8.8

IP(EA), eV:

 -9.48(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CC(CN1C=CC(=O)C2=C1C=CN=C2)(C(F)(F)F)O)C3=C(C=CC(=C3)C4=CN=CN=C4)O

DOS

IR

Vibrations