Geometry & MOs

Info

ID:

378206

PubChem CID:

134224282

Reduced:

PN4O9C21H29 (1)

Stoich.:

AB4C9D21E29 (1)

Weight, g/mol:

623.262119

ΔHf, kcal/mol:

-403.53

Dipole, Da:

6.7

IP(EA), eV:

 -9.45(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-4-methyl-3-oxopentan-2-yl] (2S)-2-[[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methoxy-phenoxyphosphoryl]methylideneamino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCCOC)NP(=O)(OC[C@H]1[C@@H](C[C@H](O1)N2C=CC(=NC2=O)N)O)OC3=CC=CC=C3

DOS

IR

Vibrations