Geometry & MOs

Info

ID:

219107

PubChem CID:

85090535

Reduced:

SN3O4C31H47 (1)

Stoich.:

AB3C4D31E47 (1)

Weight, g/mol:

560.036214

ΔHf, kcal/mol:

-190.67

Dipole, Da:

1.48

IP(EA), eV:

 -8.49(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl] phenyl hydrogen phosphate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC(C(C)C)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C1=CC2=CC=CC=C2S1)NC)C

DOS

IR

Vibrations