Geometry & MOs

Info

ID:	299530
PubChem CID:	117687277
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	429.134336
ΔH_f, kcal/mol:	-51.15
Dipole, Da:	1.75
IP(EA), eV:	-8.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-9-[(2-chlorophenyl)methyl]-N-(fluoromethyl)-N-(2,2,2-trifluoroethyl)purin-6-amine

Drug info:

PubChemData

Smile

C[C@](CSC(C)(C)C)(C(=O)N=[N+]=[N-])C(=O)OC1=CC=CC=C1

DOS

IR

Vibrations