Geometry & MOs

Info

ID:	434237
PubChem CID:	135174470
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	489.139465
ΔH_f, kcal/mol:	-69.38
Dipole, Da:	3.64
IP(EA), eV:	-8.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-7-(3-amino-4-fluorophenyl)-2-(2-fluoro-4-methylsulfonylanilino)-9-propan-2-ylpurin-8-one

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)OC3CCNCC3)C(=O)C1

DOS

IR

Vibrations