Geometry & MOs

Info

ID:	444807
PubChem CID:	135263624
Reduced:	O2N3H19C23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	822.17228
ΔH_f, kcal/mol:	23.36
Dipole, Da:	4.16
IP(EA), eV:	-8.26(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations