Geometry & MOs

Info

ID:

48765

PubChem CID:

11528308

Reduced:

SO10N13C85H167 (1)

Stoich.:

AB10C13D85E167 (1)

Weight, g/mol:

1595.120562

ΔHf, kcal/mol:

-732.11

Dipole, Da:

5.15

IP(EA), eV:

 -8.94(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;2-[2-[[(2S)-3-[(3R)-3-dodecanoyloxydecoxy]-2-(tetradecanoylamino)propoxy]-oxidophosphoryl]oxyethylcarbamoylamino]ethyl [(2R)-3-[(3R)-3-dodecanoyloxydecoxy]-2-(tetradecanoylamino)propyl] phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CCCCCCCCCCCCCCCCC)C(=O)NCCCCCCCCCCCCCCCC

DOS

IR

Vibrations