Geometry & MOs

Info

ID:	161425
PubChem CID:	57391648
Reduced:	ON4C25H28 (1)
Stoich.:	AB4C25D28 (1)
Weight, g/mol:	389.131089
ΔH_f, kcal/mol:	18.86
Dipole, Da:	2.45
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[6-amino-2-(1-cyclopropyl-2,2,2-trifluoroethoxy)purin-9-yl]-5-methyloxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2)C(=O)N3C[C@]4(CCN(C4)C5CCNC5)C6=CC=CC=C63

DOS

IR

Vibrations