Geometry & MOs

Info

ID:	311547
PubChem CID:	126593787
Reduced:	N3H19C21 (1)
Stoich.:	A3B19C21 (1)
Weight, g/mol:	387.134282
ΔH_f, kcal/mol:	99.58
Dipole, Da:	2.9
IP(EA), eV:	-9.11(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(2R,3S,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=NC=CC(=C2C(=C1C3=CC=NN3C)C)C4=CC=CC=C4

DOS

IR

Vibrations