Geometry & MOs

Info

ID:

309274

PubChem CID:

126541502

Reduced:

SF2O3N4C27H32 (1)

Stoich.:

AB2C3D4E27F32 (1)

Weight, g/mol:

539.280257

ΔHf, kcal/mol:

-123.13

Dipole, Da:

5.28

IP(EA), eV:

 -8.58(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S,5S)-2-[[(6S,7S,8aS)-7-amino-6-[(1R,3R,4R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C3=NN=C(O3)C(F)F)S(=O)C4CCN(CC4)C5CCOCC5

DOS

IR

Vibrations