Geometry & MOs

Info

ID:	16102
PubChem CID:	459891
Reduced:	SN4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	242.062618
ΔH_f, kcal/mol:	96.77
Dipole, Da:	8.0
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methylphenyl)sulfanyl-7H-purine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SC2=NC=NC3=C2NC=N3

DOS

IR

Vibrations