Geometry & MOs

Info

ID:

317937

PubChem CID:

126647839

Reduced:

BrClFPN3O9C21H25 (1)

Stoich.:

ABCDE3F9G21H25 (1)

Weight, g/mol:

639.03842

ΔHf, kcal/mol:

-474.94

Dipole, Da:

4.64

IP(EA), eV:

 -9.96(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations