Geometry & MOs

Info

ID:	336795
PubChem CID:	127255802
Reduced:	PN5O6C18H22 (1)
Stoich.:	AB5C6D18E22 (1)
Weight, g/mol:	463.162071
ΔH_f, kcal/mol:	-203.4
Dipole, Da:	8.85
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COP(=O)(CO[C@@H](CN1C=NC2=C(N=CN=C21)NC(=O)C3=CC=CC=C3)CO)OC

DOS

IR

Vibrations