Geometry & MOs

Info

ID:

297836

PubChem CID:

117633365

Reduced:

P3N6O13C20H35 (1)

Stoich.:

A3B6C13D20E35 (1)

Weight, g/mol:

709.176686

ΔHf, kcal/mol:

-755.42

Dipole, Da:

10.45

IP(EA), eV:

 -8.4(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

amino dihydroxyphosphanyl [hydroxy-[[(2S,5R)-5-[3-(N'-methanimidoylcarbamimidoyl)-4-[3-oxo-3-[6-[(2,2,2-trifluoroacetyl)amino]hexylamino]propyl]pyrrol-1-yl]oxolan-2-yl]methoxy]phosphanyl] phosphite

Drug info:

PubChemData

Smile

C1[C@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)CCC(=O)NCCCCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations