Geometry & MOs

Info

ID:

444967

PubChem CID:

135264117

Reduced:

FN2O4C27H27 (1)

Stoich.:

AB2C4D27E27 (1)

Weight, g/mol:

746.348671

ΔHf, kcal/mol:

-164.56

Dipole, Da:

4.85

IP(EA), eV:

 -9.44(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl-[3-[2-[2-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C(=O)N2CCC3=C(C2)C=C(C=C3)[C@H](CC(=O)O)C4=CN=C(C=C4C)OC

DOS

IR

Vibrations