Geometry & MOs

Info

ID:

378344

PubChem CID:

134224422

Reduced:

PN6O7C24H29 (1)

Stoich.:

AB6C7D24E29 (1)

Weight, g/mol:

564.118821

ΔHf, kcal/mol:

-251.0

Dipole, Da:

9.96

IP(EA), eV:

 -9.23(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxyethyl (2S)-2-[[[(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-chloro-4-fluoro-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](C1=C)N2C=NC3=C2NC(=NC3=O)N)O)OC4=CC=CC=C4

DOS

IR

Vibrations