Geometry & MOs

Info

ID:	426925
PubChem CID:	135154560
Reduced:	F2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	547.267204
ΔH_f, kcal/mol:	-158.08
Dipole, Da:	6.51
IP(EA), eV:	-8.83(-1.13)
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-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(C2=O)(F)F)N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC

DOS

IR

Vibrations