Geometry & MOs

Info

ID:

329097

PubChem CID:

126731249

Reduced:

PF2N4O9C29H41 (1)

Stoich.:

AB2C4D9E29F41 (1)

Weight, g/mol:

680.169501

ΔHf, kcal/mol:

-532.83

Dipole, Da:

12.85

IP(EA), eV:

 -9.76(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[4-(1,3-benzodioxole-5-carbonylamino)-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C([C@H]([C@H](O2)CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3)O)(F)F

DOS

IR

Vibrations