Geometry & MOs

Info

ID:

440997

PubChem CID:

135232621

Reduced:

PF2N3O8C25H34 (1)

Stoich.:

AB2C3D8E25F34 (1)

Weight, g/mol:

582.226622

ΔHf, kcal/mol:

-490.19

Dipole, Da:

7.84

IP(EA), eV:

 -9.61(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(4-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CCC(CC)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1([C@H]([C@@]([C@@H](O1)N2C=CC(=NC2=O)C)(C)F)O)F)OC3=CC=CC=C3

DOS

IR

Vibrations