Geometry & MOs

Info

ID:

376886

PubChem CID:

134222916

Reduced:

FO4N8C25H25 (1)

Stoich.:

AB4C8D25E25 (1)

Weight, g/mol:

1025.136622

ΔHf, kcal/mol:

-59.55

Dipole, Da:

8.76

IP(EA), eV:

 -8.97(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[6-[[1,3-bis[3-[(2,2-dichloroacetyl)amino]propanoyloxy]-2-[3-[(2,2-dichloroacetyl)amino]propanoyloxymethyl]propan-2-yl]amino]-6-oxohexyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

C/C(=C\C(=C/N=C)\O)/NC(=O)C1CC(CN1C(=O)CN2C3=C(C=C(C=C3)C4=CN=NC=C4)C(=N2)C(=O)N)F

DOS

IR

Vibrations