Geometry & MOs

Info

ID:

49334

PubChem CID:

11532867

Reduced:

FN4O5C24H25 (1)

Stoich.:

AB4C5D24E25 (1)

Weight, g/mol:

468.243143

ΔHf, kcal/mol:

-142.65

Dipole, Da:

3.71

IP(EA), eV:

 -8.75(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,4R,5R)-2,4-diamino-5-[(2R,3S,4R,5R,6S)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxycyclohexyl]oxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[C@@H](CO)OC1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(=O)N3CCC3)F)C(=O)NC4=NN(C=C4)C

DOS

IR

Vibrations