Geometry & MOs

Info

ID:

376894

PubChem CID:

134222926

Reduced:

PCl2O3H32C33 (1)

Stoich.:

AB2C3D32E33 (1)

Weight, g/mol:

875.524235

ΔHf, kcal/mol:

-47.87

Dipole, Da:

11.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.946044

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[2-[5-(2-ethoxyethoxy)-2,5-dioxopentoxy]-3-[4-(2-ethoxyethoxy)-4-oxobutanoyl]oxy-2-(hexadecanoylamino)propyl] 1-O-(2-ethoxyethyl) butanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](CCCCCC(=O)OCC2=CC=C(C=C2)C(=O)C(Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations