Geometry & MOs

Info

ID:

384830

PubChem CID:

134977758

Reduced:

PN2F3O10C12H13 (1)

Stoich.:

AB2C3D10E12F13 (1)

Weight, g/mol:

504.968863

ΔHf, kcal/mol:

-584.48

Dipole, Da:

9.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.775408

Charge, e:

 -4

Chem-info

IUPAC name:

[[[(2S,3R,4S)-3-acetyloxy-4-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OC(=O)C(F)(F)F)O)O

DOS

IR

Vibrations