Geometry & MOs

Info

ID:

15897

PubChem CID:

454685

Reduced:

PCl3N6O8C22H26 (1)

Stoich.:

AB3C6D8E22F26 (1)

Weight, g/mol:

638.061532

ΔHf, kcal/mol:

-351.38

Dipole, Da:

5.35

IP(EA), eV:

 -9.66(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2R)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2,2-trichloroethoxy)phosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@H](C)C(=O)OCC3=CC=CC=C3)OCC(Cl)(Cl)Cl)N=[N+]=[N-]

DOS

IR

Vibrations