Geometry & MOs

Info

ID:	433999
PubChem CID:	135174149
Reduced:	PO4N6C29H33 (1)
Stoich.:	AB4C6D29E33 (1)
Weight, g/mol:	431.091404
ΔH_f, kcal/mol:	-98.65
Dipole, Da:	3.82
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[chloro(naphthalen-2-yloxy)phosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COCCNP(=O)(CO[C@H](C)CN2C=NC3=C(N=CN=C32)N)OC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations