Geometry & MOs

Info

ID:

16804

PubChem CID:

477068

Reduced:

PS2N5O9C28H30 (1)

Stoich.:

AB2C5D9E28F30 (1)

Weight, g/mol:

675.122257

ΔHf, kcal/mol:

-314.53

Dipole, Da:

10.89

IP(EA), eV:

 -9.12(-1.31)

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-(2-benzoylsulfanylethoxy)phosphoryl]oxyethyl] benzenecarbothioate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCSC(=O)C3=CC=CC=C3)OCCSC(=O)C4=CC=CC=C4)N=[N+]=[N-]

DOS

IR

Vibrations