Geometry & MOs

Info

ID:	426938
PubChem CID:	135154630
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	596.223623
ΔH_f, kcal/mol:	-76.2
Dipole, Da:	3.59
IP(EA), eV:	-8.63(-0.22)
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-(4-cyanophenyl)-2,2,2-trifluoroethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations