Geometry & MOs

Info

ID:	448887
PubChem CID:	135294296
Reduced:	SO2N4C31H44 (1)
Stoich.:	AB2C4D31E44 (1)
Weight, g/mol:	275.96204
ΔH_f, kcal/mol:	-24.96
Dipole, Da:	6.98
IP(EA), eV:	-8.97(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-iodopurine-2,6-diamine

Drug info:

PubChemData

Smile

CC\1=NN=C(C/C1=C/C2CC3C4(C2)CC4N3CC[C@@H](C5=CC=C(S5)OC)NC(=O)C6CCCCC6)C(C)C

DOS

IR

Vibrations