Geometry & MOs

Info

ID:

440996

PubChem CID:

135232619

Reduced:

PF2N3O8C26H34 (1)

Stoich.:

AB2C3D8E26F34 (1)

Weight, g/mol:

573.205158

ΔHf, kcal/mol:

-487.68

Dipole, Da:

6.38

IP(EA), eV:

 -9.45(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

pentan-3-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-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=NC(=O)N(C=C1)[C@H]2[C@]([C@@H]([C@](O2)(CO[P@@](=O)(N[C@@H](C)C(=O)OC3CCCCC3)OC4=CC=CC=C4)F)O)(C)F

DOS

IR

Vibrations