Geometry & MOs

Info

ID:	14418
PubChem CID:	410951
Reduced:	SCl2H2N4C5 (1)
Stoich.:	AB2C2D4E5 (1)
Weight, g/mol:	219.937723
ΔH_f, kcal/mol:	107.16
Dipole, Da:	3.72
IP(EA), eV:	-10.15(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,8-dichloro-5H-purine-6-thiol

Drug info:

PubChemData

Smile

C12C(=NC(=N1)Cl)N=C(N=C2S)Cl

DOS

IR

Vibrations