Geometry & MOs

Info

ID:	434240
PubChem CID:	135174476
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	530.105164
ΔH_f, kcal/mol:	-9.62
Dipole, Da:	2.75
IP(EA), eV:	-8.91(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-7-(7-chloro-1H-indazol-4-yl)-2-(2-fluoro-4-methylsulfonylanilino)-9-propan-2-ylpurin-8-one

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CC4=C(C=C3)N=C(O4)C)C(=O)NC5CC6CC5C6

DOS

IR

Vibrations