Geometry & MOs

Info

ID:	339167
PubChem CID:	127260546
Reduced:	O3N6C19H30 (1)
Stoich.:	A3B6C19D30 (1)
Weight, g/mol:	441.164833
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	5.36
IP(EA), eV:	-8.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-oxolan-2-yl]oxyoxolan-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)/C=N/C1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O

DOS

IR

Vibrations