Geometry & MOs

Info

ID:

376900

PubChem CID:

134222932

Reduced:

PN4O13C52H74 (1)

Stoich.:

AB4C13D52E74 (1)

Weight, g/mol:

771.52451

ΔHf, kcal/mol:

-612.41

Dipole, Da:

10.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.938214

Charge, e:

 0

Chem-info

IUPAC name:

[2-(hexadecanoylamino)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]propyl] butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC(=O)OCC(COC(=O)CCNC(=O)OC(C)(C)C)(COC(=O)CCNC(=O)OC(C)(C)C)NC(=O)CCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations