Geometry & MOs

Info

ID:

150110

PubChem CID:

53789796

Reduced:

ON2C16H22 (1)

Stoich.:

AB2C16D22 (1)

Weight, g/mol:

677.367834

ΔHf, kcal/mol:

-16.79

Dipole, Da:

3.38

IP(EA), eV:

 -7.95(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-aminoethyl)-3-ethylpyrrolidine-2,5-dione;N-[[[2-hydroxy-7-methyl-2-(propylamino)-7-sulfanyloctyl]-propylamino]methyl]ethanethioamide;4-oxothiolane-3-carbaldehyde

Drug info:

PubChemData

Smile

CN1CCCC[C@H]1CC2=CNC3=C2C=C(C=C3)OC

DOS

IR

Vibrations