Geometry & MOs

Info

ID:

376892

PubChem CID:

134222924

Reduced:

NPCl6O16H65C67 (1)

Stoich.:

ABC6D16E65F67 (1)

Weight, g/mol:

494.879368

ΔHf, kcal/mol:

-515.28

Dipole, Da:

8.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.857287

Charge, e:

 0

Chem-info

IUPAC name:

[2-acetamido-3-(2,2-dichloroacetyl)oxy-2-[(2,2-dichloroacetyl)oxymethyl]propyl] 2,2-dichloroacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](CCCCCC(=O)NC(COC(=O)CCC(=O)OCC2=CC=C(C=C2)C(=O)C(Cl)Cl)(COC(=O)CCC(=O)OCC3=CC=C(C=C3)C(=O)C(Cl)Cl)COC(=O)CCC(=O)OCC4=CC=C(C=C4)C(=O)C(Cl)Cl)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations