Geometry & MOs

Info

ID:	14613
PubChem CID:	416146
Reduced:	SN4C6H6 (1)
Stoich.:	AB4C6D6 (1)
Weight, g/mol:	166.031317
ΔH_f, kcal/mol:	100.31
Dipole, Da:	2.54
IP(EA), eV:	-9.83(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5H-purine-6-thiol

Drug info:

PubChemData

Smile

CC1=NC2=NC=NC2C(=N1)S

DOS

IR

Vibrations