Geometry & MOs

Info

ID:	221605
PubChem CID:	85285701
Reduced:	N5O8C26H47 (1)
Stoich.:	A5B8C26D47 (1)
Weight, g/mol:	558.186297
ΔH_f, kcal/mol:	-438.65
Dipole, Da:	5.23
IP(EA), eV:	-9.75(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[3-[3-(1,3-dioxoisoindol-2-yl)propoxy]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)(C)C(=O)OC)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations