Geometry & MOs

Info

ID:

310316

PubChem CID:

126578620

Reduced:

FPN4O8C22H30 (1)

Stoich.:

ABC4D8E22F30 (1)

Weight, g/mol:

431.145752

ΔHf, kcal/mol:

-426.66

Dipole, Da:

3.65

IP(EA), eV:

 -9.68(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2R)-2-[[(2R,3R,3aS,8aS)-3-hydroxy-2-(4-methylidene-2-oxopyrimidin-1-yl)-6-oxo-2,3,3a,4,8,8a-hexahydrofuro[2,3-e][1,3,2]dioxaphosphepin-6-yl]amino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations