Geometry & MOs

Info

ID:	143663
PubChem CID:	53245322
Reduced:	ClSO3N4H25C26 (1)
Stoich.:	ABC3D4E25F26 (1)
Weight, g/mol:	507.157892
ΔH_f, kcal/mol:	0.92
Dipole, Da:	7.08
IP(EA), eV:	-9.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3,5-difluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](CN([C@H]1C2=CC=C(C=C2)Cl)CC3=CC=CS3)O)N4C=C(N=N4)COC(=O)C5=CC=CC=C5

DOS

IR

Vibrations