Geometry & MOs

Info

ID:

190478

PubChem CID:

78010568

Reduced:

FN2O5C39H49 (1)

Stoich.:

AB2C5D39E49 (1)

Weight, g/mol:

518.27405

ΔHf, kcal/mol:

-235.88

Dipole, Da:

8.81

IP(EA), eV:

 -8.57(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-aminoethyl(butyl)amino]-2-oxoethyl]-4-[7-(hydroxymethyl)-1,3-benzodioxol-5-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(CCC)N(C1=CC(=C(C=C1)F)C)C(=O)CN2CC(C(C2CCCC3=CC=CC=C3CO)C(=O)O)C4=CC5=C(C=C4)OCC5

DOS

IR

Vibrations