Geometry & MOs

Info

ID:	426894
PubChem CID:	135154379
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	542.251889
ΔH_f, kcal/mol:	-81.99
Dipole, Da:	5.6
IP(EA), eV:	-8.79(-1.06)
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-cyanophenyl)ethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=NN(C2=O)CCO)N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC

DOS

IR

Vibrations