Geometry & MOs

Info

ID:

313827

PubChem CID:

126618157

Reduced:

BrClPN3O10C22H28 (1)

Stoich.:

ABCD3E10F22G28 (1)

Weight, g/mol:

593.05741

ΔHf, kcal/mol:

-458.98

Dipole, Da:

5.65

IP(EA), eV:

 -9.75(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[[[(2R,3R,4S,5R)-4-bromo-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(COC)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(Cl)Br)O)OC3=CC=CC=C3

DOS

IR

Vibrations