Geometry & MOs

Info

ID:

376890

PubChem CID:

134222922

Reduced:

NPO13C40H47 (1)

Stoich.:

ABC13D40E47 (1)

Weight, g/mol:

904.20981

ΔHf, kcal/mol:

-510.18

Dipole, Da:

10.48

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.944061

Charge, e:

 0

Chem-info

IUPAC name:

[3-[3-[(2,2-dichloroacetyl)amino]propanoyloxy]-2-[3-[(2,2-dichloroacetyl)amino]propanoyloxymethyl]-2-(hexadecanoylamino)propyl] 3-[(2,2-dichloroacetyl)amino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](CCCCCC(=O)NC(COC(=O)CCC(=O)O)(COC(=O)CCOC=O)COC(=O)CCOC=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations