Geometry & MOs

Info

ID:	187845
PubChem CID:	77634137
Reduced:	O2N5C26H29 (1)
Stoich.:	A2B5C26D29 (1)
Weight, g/mol:	662.231197
ΔH_f, kcal/mol:	4.26
Dipole, Da:	1.45
IP(EA), eV:	-9.26(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]pyrrolidine-2,3-diol;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)NC(C(=O)N1CC2=NN(N=C2)C3=CC=CC=C3)C4CC5=CC=CC=C5C4

DOS

IR

Vibrations