Geometry & MOs

Info

ID:	426944
PubChem CID:	135154684
Reduced:	O2N5C11H15 (1)
Stoich.:	A2B5C11D15 (1)
Weight, g/mol:	589.218952
ΔH_f, kcal/mol:	-24.74
Dipole, Da:	4.05
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CN2C(=O)NN=C2N=C1N3CCC(CC3)O

DOS

IR

Vibrations