Geometry & MOs

Info

ID:

49851

PubChem CID:

11533956

Reduced:

F3O3N4C29H31 (1)

Stoich.:

A3B3C4D29E31 (1)

Weight, g/mol:

540.311892

ΔHf, kcal/mol:

-218.68

Dipole, Da:

5.96

IP(EA), eV:

 -8.64(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4R,5S,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-5-[(2R)-2,3-diaminopropoxy]-6-methyloxane-3,4-diol

Drug info:

PubChemData

Smile

COCCN1CCC2(CC1)CN(C3=CC=CC=C23)C4=CC=CC=C4NC(=O)NC5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations