Geometry & MOs

Info

ID:	433841
PubChem CID:	135173984
Reduced:	O2N8H24C25 (1)
Stoich.:	A2B8C24D25 (1)
Weight, g/mol:	498.148553
ΔH_f, kcal/mol:	28.79
Dipole, Da:	8.38
IP(EA), eV:	-8.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-9-cyclopentyl-2-(2-fluoro-4-methylsulfonylanilino)-7-(3-hydroxyphenyl)purin-8-one

Drug info:

PubChemData

Smile

CC(C)N1C2=NC(=NC(=C2N(C1=O)C3=CC4=C(C=C3)NC=C4)N)NC5=CC6=C(C=C5)C(=O)N(C6)C

DOS

IR

Vibrations