Geometry & MOs

Info

ID:

16375

PubChem CID:

466056

Reduced:

PSN5O8C17H26 (1)

Stoich.:

ABC5D8E17F26 (1)

Weight, g/mol:

491.123971

ΔHf, kcal/mol:

-358.49

Dipole, Da:

7.27

IP(EA), eV:

 -9.52(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl] 2,2-dimethylpropanethioate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OCCSC(=O)C(C)(C)C)N=[N+]=[N-]

DOS

IR

Vibrations