Geometry & MOs

Info

ID:

384699

PubChem CID:

134977496

Reduced:

S2P3N5O11C16H25 (1)

Stoich.:

A2B3C5D11E16F25 (1)

Weight, g/mol:

559.89567

ΔHf, kcal/mol:

-473.89

Dipole, Da:

4.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.772730

Charge, e:

 -4

Chem-info

IUPAC name:

[dichloro(phosphonato)methyl]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxyphosphinate

Drug info:

PubChemData

Smile

CCCCCCSC1=NC(=C2C(=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(=S)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)N

DOS

IR

Vibrations