Geometry & MOs

Info

ID:	446878
PubChem CID:	135278409
Reduced:	BrSN5O7H42C44 (1)
Stoich.:	ABC5D7E42F44 (1)
Weight, g/mol:	380.03717
ΔH_f, kcal/mol:	-155.73
Dipole, Da:	9.41
IP(EA), eV:	-8.54(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(3-bromopropoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)C5CCN(CC5)CCOC6=CC=C(C=C6)OC7=C(SC8=C7C=CC(=C8)O)C9=CC=C(C=C9)Br

DOS

IR

Vibrations