Geometry & MOs

Info

ID:

47309

PubChem CID:

10531421

Reduced:

BrON2H9F10C22 (1)

Stoich.:

ABC2D9E10F22 (1)

Weight, g/mol:

587.2814

ΔHf, kcal/mol:

-391.76

Dipole, Da:

2.07

IP(EA), eV:

-9.29(-1.45)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-[(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-fluorocyclohexyl]-2-hydroxybutanamide

Drug info:

PubChemData

Smile

C1=C(NC(=C1)C(C2=C(C(=C(C(=C2F)F)F)F)F)O)C(C3=CC=C(N3)Br)C4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations