Geometry & MOs

Info

ID:

446853

PubChem CID:

135278213

Reduced:

ClS2N4O10C51H57 (1)

Stoich.:

AB2C4D10E51F57 (1)

Weight, g/mol:

862.20358

ΔHf, kcal/mol:

-311.66

Dipole, Da:

7.63

IP(EA), eV:

 -8.47(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-[1-[2-[4-[[2-(4-bromophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]piperidin-4-yl]piperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCOC4=CC=C(C=C4)OC5=C(SC6=C5C=CC(=C6)O)C7=CC=C(C=C7)Cl)O

DOS

IR

Vibrations