Geometry & MOs

Info

ID:

426905

PubChem CID:

135154478

Reduced:

O2N4H28C31 (1)

Stoich.:

A2B4C28D31 (1)

Weight, g/mol:

596.223623

ΔHf, kcal/mol:

46.04

Dipole, Da:

5.1

IP(EA), eV:

 -9.12(-0.49)

Spin(Sz, 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)-2,2,2-trifluoroethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)CN2C(=O)[C@](N=C2N)(C3=CC=CC=C3)C4=CC=CC(=C4)C5=CC=CC=C5

DOS

IR

Vibrations