Geometry & MOs

Info

ID:

434879

PubChem CID:

135175906

Reduced:

SF2N7O11C58H65 (1)

Stoich.:

AB2C7D11E58F65 (1)

Weight, g/mol:

946.325908

ΔHf, kcal/mol:

-409.98

Dipole, Da:

7.46

IP(EA), eV:

 -8.94(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)ethyl]-1,3-dioxoinden-5-yl]oxyethoxy]ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCCOCCCOC4=CC5=NC=CC(=C5C=C4OC)OC6=C(C=C(C=C6)NC(=O)C7(CC7)C(=O)NC8=CC=C(C=C8)F)F)O

DOS

IR

Vibrations