Geometry & MOs

Info

ID:	337561
PubChem CID:	127258184
Reduced:	O3N7C10H15 (1)
Stoich.:	A3B7C10D15 (1)
Weight, g/mol:	459.175398
ΔH_f, kcal/mol:	-55.11
Dipole, Da:	1.4
IP(EA), eV:	-8.88(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-(4-propan-2-ylphenoxy)acetamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)NN)N)CO)O

DOS

IR

Vibrations