Geometry & MOs

Info

ID:	312468
PubChem CID:	126605499
Reduced:	FO2N6C22H29 (1)
Stoich.:	AB2C6D22E29 (1)
Weight, g/mol:	482.244167
ΔH_f, kcal/mol:	-68.11
Dipole, Da:	5.25
IP(EA), eV:	-8.64(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[2-[6-amino-2-fluoro-8-[(5-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]purin-9-yl]ethyl]piperidin-1-yl]-2-hydroxypropan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1CC3=NC4=C(N=C(N=C4N3CCCNC(C)(C)C)F)N)OCCO2

DOS

IR

Vibrations