Geometry & MOs

Info

ID:

297417

PubChem CID:

117617061

Reduced:

PN6O9C30H37 (1)

Stoich.:

AB6C9D30E37 (1)

Weight, g/mol:

569.193845

ΔHf, kcal/mol:

-221.29

Dipole, Da:

7.09

IP(EA), eV:

 -8.05(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

pent-4-enyl (2S)-2-[[[(3R,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methoxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)OCCCCCCOC2=NC(=NC3=C2N=CN3C4[C@]([C@@H](C(O4)COP(=O)(N1)OC5=CC=CC6=CC=CC=C65)O)(C)O)N

DOS

IR

Vibrations