Geometry & MOs

Info

ID:	433887
PubChem CID:	135174030
Reduced:	PO4N6C26H33 (1)
Stoich.:	AB4C6D26E33 (1)
Weight, g/mol:	510.214441
ΔH_f, kcal/mol:	-126.25
Dipole, Da:	3.0
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[[2-[(4-methylphenyl)methoxy]ethylamino]-phenoxyphosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC[C@@H](C)NP(=O)(CO[C@H](C)CN2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4

DOS

IR

Vibrations