Geometry & MOs

Info

ID:	16572
PubChem CID:	472988
Reduced:	SN4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	256.078268
ΔH_f, kcal/mol:	87.61
Dipole, Da:	8.97
IP(EA), eV:	-9.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethylphenyl)sulfanyl-7H-purine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations