Geometry & MOs

Info

ID:

80507

PubChem CID:

49834833

Reduced:

FN2O5C23H31 (1)

Stoich.:

AB2C5D23E31 (1)

Weight, g/mol:

645.306866

ΔHf, kcal/mol:

-197.28

Dipole, Da:

9.1

IP(EA), eV:

 -8.95(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxycyclohexyl]-2,3-dihydroxybutanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)CCC(=O)NC5=NC=C(C=C5)F)C

DOS

IR

Vibrations