Geometry & MOs

Info

ID:	188106
PubChem CID:	77668183
Reduced:	O4N7C27H29 (1)
Stoich.:	A4B7C27D29 (1)
Weight, g/mol:	563.168395
ΔH_f, kcal/mol:	-30.19
Dipole, Da:	6.07
IP(EA), eV:	-8.76(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[6-[[2-(1-benzofuran-2-ylmethoxy)-5-chlorophenyl]methylamino]purin-9-yl]-4-hydroxy-N-methyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=C(C=CC(=C4)C=C)OCC5=CC=CC=C5)O)N

DOS

IR

Vibrations