Geometry & MOs

Info

ID:

385219

PubChem CID:

134978549

Reduced:

S2P3N6O14C18H20 (1)

Stoich.:

A2B3C6D14E18F20 (1)

Weight, g/mol:

534.91876

ΔHf, kcal/mol:

-479.66

Dipole, Da:

9.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.752530

Charge, e:

 -4

Chem-info

IUPAC name:

[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-oxidophosphoryl] phosphate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCSC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=S)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O)N)[N+](=O)[O-]

DOS

IR

Vibrations