Geometry & MOs

Info

ID:

378205

PubChem CID:

134224281

Reduced:

PN4O8C21H25 (1)

Stoich.:

AB4C8D21E25 (1)

Weight, g/mol:

512.167216

ΔHf, kcal/mol:

-315.25

Dipole, Da:

8.77

IP(EA), eV:

 -9.59(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxyethyl (2S)-2-[[[(2S,3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC#C)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