Geometry & MOs

Info

ID:	426896
PubChem CID:	135154405
Reduced:	O3N8C20H24 (1)
Stoich.:	A3B8C20D24 (1)
Weight, g/mol:	551.217667
ΔH_f, kcal/mol:	19.83
Dipole, Da:	3.62
IP(EA), eV:	-8.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(1R)-1-(4-chlorophenyl)ethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NCC4=NNN=C4

DOS

IR

Vibrations