Geometry & MOs

Info

ID:	433848
PubChem CID:	135173991
Reduced:	ClFO3N8C25H28 (1)
Stoich.:	ABC3D8E25F28 (1)
Weight, g/mol:	455.170588
ΔH_f, kcal/mol:	-93.45
Dipole, Da:	5.52
IP(EA), eV:	-8.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-7-(1H-indol-5-yl)-2-[(1-oxo-3H-2-benzofuran-5-yl)amino]-9-propan-2-ylpurin-8-one

Drug info:

PubChemData

Smile

CC(C)N1C2=NC(=NC(=C2N(C1=O)C3=CC(=C(C=C3)Cl)O)N)NC4=C(C=C(C=C4)C(=O)NCCN(C)C)F

DOS

IR

Vibrations