Geometry & MOs

Info

ID:

384700

PubChem CID:

134977499

Reduced:

Cl2N2P3C11H13O14 (1)

Stoich.:

A2B2C3D11E13F14 (1)

Weight, g/mol:

563.92697

ΔHf, kcal/mol:

-737.41

Dipole, Da:

3.04

IP(EA), eV:

 -9.92(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(C(P(=O)([O-])[O-])(Cl)Cl)[O-])O)O

DOS

IR

Vibrations