Geometry & MOs

Info

ID:

444800

PubChem CID:

135263598

Reduced:

FO3N5C23H24 (1)

Stoich.:

AB3C5D23E24 (1)

Weight, g/mol:

850.331268

ΔHf, kcal/mol:

-68.23

Dipole, Da:

15.63

IP(EA), eV:

 -7.42(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[4-[[1-[5-[[2-(4-fluorophenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]pyridin-2-yl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC\1=CN2C(=C/C1=C\3/C(=O)C=CC=C3F)NC(=C2N4CCN(CC4)C(=O)C=C)NC(=O)C

DOS

IR

Vibrations