Geometry & MOs

Info

ID:

444361

PubChem CID:

135262193

Reduced:

F2O2N7H21C23 (1)

Stoich.:

A2B2C7D21E23 (1)

Weight, g/mol:

739.277276

ΔHf, kcal/mol:

-46.46

Dipole, Da:

7.5

IP(EA), eV:

 -9.33(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylquinolin-7-yl]oxyethoxy]ethoxy]benzamide

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)O)NC(=O)C2=C(C=CN=C2)NC3=NC(=NN4C3=CC=C4)C5=NC(=CC=C5)C(F)F

DOS

IR

Vibrations