Geometry & MOs

Info

ID:	433806
PubChem CID:	135173948
Reduced:	ON3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	558.140942
ΔH_f, kcal/mol:	8.0
Dipole, Da:	2.56
IP(EA), eV:	-8.54(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-9-(3,3-difluorocyclopentyl)-2-(2-fluoro-4-methylsulfonylanilino)-7-(1H-indazol-4-yl)purin-8-one

Drug info:

PubChemData

Smile

CC(=C)O/N=C(\C)/N1CCN(CC1)C

DOS

IR

Vibrations