Geometry & MOs

Info

ID:

376023

PubChem CID:

134222023

Reduced:

ClNOF3C25H29 (1)

Stoich.:

ABCD3E25F29 (1)

Weight, g/mol:

798.228789

ΔHf, kcal/mol:

-212.12

Dipole, Da:

6.72

IP(EA), eV:

 -9.23(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[3-fluoro-4-[[5-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentyl] hexyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)Cl)C(/C=C/C2=CC(=C(C=C2)CNC(=O)C(C)(C)C)C)C(F)(F)F

DOS

IR

Vibrations