Geometry & MOs

Info

ID:

215354

PubChem CID:

85084586

Reduced:

ClZnH3N8F12C32 (1)

Stoich.:

ABC3D8E12F32 (1)

Weight, g/mol:

828.274682

ΔHf, kcal/mol:

-111.59

Dipole, Da:

1.88

IP(EA), eV:

 -9.45(-3.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C3=NC4=C5C(=C([N-]4)N=C6C7=C(C(=C(C(=C7F)F)F)F)C(=N6)N=C8C9=C(C(=C(C(=C9F)F)F)F)C(=N8)N=C2[N-]3)C(=C(C(=C5F)F)F)F.[Zn+2]

DOS

IR

Vibrations