Geometry & MOs

Info

ID:	46533
PubChem CID:	10525047
Reduced:	NSH10C12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	399.95879
ΔH_f, kcal/mol:	124.2
Dipole, Da:	3.29
IP(EA), eV:	-8.63(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-iodo-8-(3-methoxyphenyl)-9-methylpurine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C)SC(=CC4=CC=CC=C4)S2

DOS

IR

Vibrations