Geometry & MOs

Info

ID:	20164
PubChem CID:	580652
Reduced:	ClSO2N4H13C14 (1)
Stoich.:	ABC2D4E13F14 (1)
Weight, g/mol:	336.044775
ΔH_f, kcal/mol:	-31.88
Dipole, Da:	3.2
IP(EA), eV:	-9.07(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-sulfanylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)S)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations