Geometry & MOs

Info

ID:	336794
PubChem CID:	127255801
Reduced:	NO6C14H23 (1)
Stoich.:	AB6C14D23 (1)
Weight, g/mol:	435.13077
ΔH_f, kcal/mol:	-279.16
Dipole, Da:	2.71
IP(EA), eV:	-10.04(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(2S)-2-(dimethoxyphosphorylmethoxy)-3-hydroxypropyl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1C[C@H](N1C(=O)OC(C)(C)C)C(=O)OCC

DOS

IR

Vibrations