Geometry & MOs

Info

ID:

15859

PubChem CID:

453794

Reduced:

PCl3N6O8C16H22 (1)

Stoich.:

AB3C6D8E16F22 (1)

Weight, g/mol:

562.030232

ΔHf, kcal/mol:

-358.95

Dipole, Da:

4.8

IP(EA), eV:

 -9.82(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-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)OC)OCC(Cl)(Cl)Cl)N=[N+]=[N-]

DOS

IR

Vibrations