Geometry & MOs

Info

ID:	2093
PubChem CID:	5778
Reduced:	SN4C6H6 (1)
Stoich.:	AB4C6D6 (1)
Weight, g/mol:	166.031317
ΔH_f, kcal/mol:	75.89
Dipole, Da:	5.77
IP(EA), eV:	-9.13(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylsulfanyl-7H-purine

Drug info:

PubChemData

Smile

CSC1=NC=NC2=C1NC=N2

DOS

IR

Vibrations