Geometry & MOs

Info

ID:

46870

PubChem CID:

10528027

Reduced:

FPN2O5C23H28 (1)

Stoich.:

ABC2D5E23F28 (1)

Weight, g/mol:

462.194965

ΔHf, kcal/mol:

-268.39

Dipole, Da:

3.84

IP(EA), eV:

 -9.36(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S,2S)-9,13-diacetyl-8,9,13,14-tetraza-10,12-diphosphapentacyclo[10.7.0.01,15.02,7.02,10]nonadeca-7,14-dien-11-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CCOP(=O)(CN([C@@H]1[C@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O)C3=CC=C(C=C3)F)OCC

DOS

IR

Vibrations