Geometry & MOs

Info

ID:	426927
PubChem CID:	135154573
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	585.244024
ΔH_f, kcal/mol:	-84.37
Dipole, Da:	4.44
IP(EA), eV:	-8.6(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(CN(C2)C(=O)C3CCO3)N=C1N4CCC(CC4)OC5=CN=C(C=C5)OC

DOS

IR

Vibrations