Geometry & MOs

Info

ID:	432623
PubChem CID:	135172759
Reduced:	ClSN3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	459.201888
ΔH_f, kcal/mol:	69.2
Dipole, Da:	5.88
IP(EA), eV:	-8.58(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-(7H-purin-6-yloxy)ethanone

Drug info:

PubChemData

Smile

C=C1CCCN1C2=NC(=NC3=C2SC=C3)Cl

DOS

IR

Vibrations