Geometry & MOs

Info

ID:	311846
PubChem CID:	126598343
Reduced:	SN4O9C31H38 (1)
Stoich.:	AB4C9D31E38 (1)
Weight, g/mol:	350.08135
ΔH_f, kcal/mol:	-317.99
Dipole, Da:	5.07
IP(EA), eV:	-8.65(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2,4-dichlorophenyl)-9-methyl-2-N-propan-2-ylpurine-2,8-diamine

Drug info:

PubChemData

Smile

CCCCCC[C@H](CN1C[C@H](C[C@H]1C(=O)O)OC2=CC=C(C=C2)CC(=O)O)N3C=C(N=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O

DOS

IR

Vibrations