Geometry & MOs

Info

ID:	338577
PubChem CID:	127259588
Reduced:	N5O5C19H23 (1)
Stoich.:	A5B5C19D23 (1)
Weight, g/mol:	401.169919
ΔH_f, kcal/mol:	-145.34
Dipole, Da:	3.36
IP(EA), eV:	-8.92(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-2-(4-hydroxyphenyl)propyl]amino]purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=C(C=C1)O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

DOS

IR

Vibrations