Geometry & MOs

Info

ID:

439495

PubChem CID:

135229269

Reduced:

PN3C16H34 (1)

Stoich.:

AB3C16D34 (1)

Weight, g/mol:

1946.842805

ΔHf, kcal/mol:

-46.08

Dipole, Da:

3.62

IP(EA), eV:

 -7.64(1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-(2-butyloctyl) 19-O-[2-hexyl-13-[[17-(2-hexyldecoxy)-9-[nonyl(3-pyrrolidin-1-ylpropyl)carbamoyl]-17-oxoheptadecanoyl]oxymethyl]henicosyl] 10-[3-(dimethylamino)propyl-nonylcarbamoyl]nonadecanedioate

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)P(CCCC#N)N(C(C)C)C(C)C

DOS

IR

Vibrations