Geometry & MOs

Info

ID:

376083

PubChem CID:

134222086

Reduced:

NF2P4O41C45H87 (1)

Stoich.:

AB2C4D41E45F87 (1)

Weight, g/mol:

1519.388335

ΔHf, kcal/mol:

-2228.2

Dipole, Da:

4.73

IP(EA), eV:

 -9.34(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[5-[5-aminopentoxy(hydroxy)phosphoryl]oxy-2,3,4-trihydroxypentoxy]-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [5-[3-fluoro-5-(hydroxymethyl)-4-[hydroxy-[2,3,4-trihydroxy-5-[5-(hydroxymethyl)-4-[hydroxy-[2,3,4-trihydroxy-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]oxypentoxy]phosphoryl]oxy-3-methoxyoxolan-2-yl]oxypentoxy]phosphoryl]oxyoxolan-2-yl]oxy-2,3,4-trihydroxypentyl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1C(C(OC1OCC(C(C(COP(=O)(O)OC2CC(OC2CO)OCC(C(C(COP(=O)(O)OC3C(OC(C3F)OCC(C(C(COP(=O)(O)OC4C(OC(C4F)OCC(C(C(COP(=O)(O)OCCCCCN)O)O)O)CO)O)O)O)CO)O)O)O)O)O)O)CO)O

DOS

IR

Vibrations