Geometry & MOs

Info

ID:

378283

PubChem CID:

134224359

Reduced:

PN6O9C21H27 (1)

Stoich.:

AB6C9D21E27 (1)

Weight, g/mol:

571.230819

ΔHf, kcal/mol:

-344.16

Dipole, Da:

8.34

IP(EA), eV:

 -9.32(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCCOC)NP(=O)(OC[C@@H]1OC[C@@H](O1)N2C=NC3=C2NC(=NC3=O)N)OC4=CC=CC=C4

DOS

IR

Vibrations