Geometry & MOs

Info

ID:

379068

PubChem CID:

134352228

Reduced:

F2N7O11C41H51 (1)

Stoich.:

A2B7C11D41E51 (1)

Weight, g/mol:

2057.143099

ΔHf, kcal/mol:

-496.45

Dipole, Da:

5.35

IP(EA), eV:

 -8.61(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethyl [2-[(fluoroamino)methyl]-3-phosphonooxypropyl] hydrogen phosphate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@]2(CC2=O)N(C1)C(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)NC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations