Geometry & MOs

Info

ID:	433845
PubChem CID:	135173988
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	394.122338
ΔH_f, kcal/mol:	-14.21
Dipole, Da:	3.26
IP(EA), eV:	-8.86(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-9-tert-butyl-2-(2-fluoro-4-methylsulfonylanilino)-7H-purin-8-one

Drug info:

PubChemData

Smile

C[C@]1(CCN1C=O)CCN(C)CC2=CC=CC=C2

DOS

IR

Vibrations