Geometry & MOs

Info

ID:

219321

PubChem CID:

85098741

Reduced:

NO14C41H59 (1)

Stoich.:

AB14C41D59 (1)

Weight, g/mol:

790.466936

ΔHf, kcal/mol:

-634.35

Dipole, Da:

3.88

IP(EA), eV:

 -9.71(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N'-bis[4-[2-(hydroxymethyl)-5-oxo-4-propan-2-ylpyrrolidin-3-yl]naphthalen-1-yl]dodecanediamide

Drug info:

PubChemData

Smile

CCCCCCCCC(C(=O)OC1=C(C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(CC1=O)C)O)O)C(=O)OC)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations