Geometry & MOs

Info

ID:	433888
PubChem CID:	135174031
Reduced:	PO4N6C25H31 (1)
Stoich.:	AB4C6D25E31 (1)
Weight, g/mol:	510.214441
ΔH_f, kcal/mol:	-117.26
Dipole, Da:	6.9
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[phenoxy-[[(2S)-2-phenylmethoxypropyl]amino]phosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COCCNP(=O)(CO[C@H](C)CN2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4

DOS

IR

Vibrations