Geometry & MOs

Info

ID:

80816

PubChem CID:

49846211

Reduced:

SF2O4N5C36H43 (1)

Stoich.:

AB2C4D5E36F43 (1)

Weight, g/mol:

519.297442

ΔHf, kcal/mol:

-208.06

Dipole, Da:

6.65

IP(EA), eV:

 -8.88(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[8-[dimethylphosphoryl(3-morpholin-4-ylpropyl)amino]octylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1S(=O)(=O)N(C)C(C)C2=NC3=C(C=CC=C3N2)C(=O)N4CCC5(CCN(CC5)CC6=C(C=CC(=C6)F)F)CC4)C)OC

DOS

IR

Vibrations