Geometry & MOs

Info

ID:	433894
PubChem CID:	135174041
Reduced:	FO2N7C36H38 (1)
Stoich.:	AB2C7D36E38 (1)
Weight, g/mol:	510.214441
ΔH_f, kcal/mol:	-5.85
Dipole, Da:	6.86
IP(EA), eV:	-8.22(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CNCCO)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)CN6CCCCC6)F

DOS

IR

Vibrations