Geometry & MOs

Info

ID:

439514

PubChem CID:

135229289

Reduced:

N6O15C174H338 (1)

Stoich.:

A6B15C174D338 (1)

Weight, g/mol:

1932.827155

ΔHf, kcal/mol:

-1383.04

Dipole, Da:

3.12

IP(EA), eV:

 -8.66(0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-(2-butyloctyl) 19-O-[11-[[10-[3-(dimethylamino)propyl-octanoylamino]-19-(2-hexyldecoxy)-19-oxononadecanoyl]oxymethyl]-4-ethyl-2-hexylnonadecyl] 10-[octyl(3-pyrrolidin-1-ylpropyl)carbamoyl]nonadecanedioate

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)N(CCCN(C)C)C(CCCCCCCCC(=O)OCC(CCCC)CCCCCC)CCCCCCCCC(=O)OCC(CCCCCC)CCCCC(CCCC)CC(CCCCCC)OC(=O)CCCCCCCCC(CCCCCCCCC(=O)OC(CCCCCC)CCCCC(C)C(CC)CCCC(CCCCCC)OC(=O)CCCCCCCCC(CCCCCCCCC(=O)OC(CCCCCC)CCCCCC)N(CCCN(C)C)C(=O)CCCCCCCC)N(CCCN(C)C)C(=O)CCCCCCC

DOS

IR

Vibrations