Geometry & MOs

Info

ID:	180077
PubChem CID:	76572913
Reduced:	SO6C34H52 (1)
Stoich.:	AB6C34D52 (1)
Weight, g/mol:	440.233602
ΔH_f, kcal/mol:	-301.06
Dipole, Da:	4.04
IP(EA), eV:	-9.15(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[8-(2-fluoroanilino)-9-[3-(hydroxymethyl)cyclopentyl]purin-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C4CC(C5(C(C4C(CC3(C2)C)O)CCC5C(C)CCC(=C)OC)C)O)C

DOS

IR

Vibrations