Geometry & MOs

Info

ID:	43357
PubChem CID:	10321172
Reduced:	N7O8C16H25 (1)
Stoich.:	A7B8C16D25 (1)
Weight, g/mol:	443.17173
ΔH_f, kcal/mol:	-326.33
Dipole, Da:	2.22
IP(EA), eV:	-9.88(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-2-[6-[2-(5-fluorobenzimidazol-1-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)N

DOS

IR

Vibrations