Geometry & MOs

Info

ID:

438565

PubChem CID:

135228309

Reduced:

ClFO2N6C26H26 (1)

Stoich.:

ABC2D6E26F26 (1)

Weight, g/mol:

1163.058678

ΔHf, kcal/mol:

0.34

Dipole, Da:

3.22

IP(EA), eV:

 -9.32(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[2-[2-[2-[2-[2-[ethyl(propyl)amino]ethyl-[2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethyl]amino]ethyl-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]amino]ethyl-[2-[[3-(4-hydroxy-2-methylbutan-2-yl)oxy-2,2-dimethylpropyl]amino]ethyl]amino]ethyl-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]amino]ethylamino]-3-methylbutoxy]pentan-1-ol

Drug info:

PubChemData

Smile

CC(C)OCC1=NN=C2N1CC3=C(N=CN3C4=C2C=C(C=C4)Cl)C5=N[C@H](CO5)C6(CC=C(C=C6)F)C

DOS

IR

Vibrations