Geometry & MOs

Info

ID:	321397
PubChem CID:	126665952
Reduced:	ClOSN3C6H10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	453.003891
ΔH_f, kcal/mol:	-34.42
Dipole, Da:	3.96
IP(EA), eV:	-9.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-7H-purin-6-one;hydrochloride

Drug info:

PubChemData

Smile

CN(C)C(=O)NC1=NC=CS1.Cl

DOS

IR

Vibrations