Geometry & MOs

Info

ID:

189814

PubChem CID:

77907161

Reduced:

PN5O6C14H20 (1)

Stoich.:

AB5C6D14E20 (1)

Weight, g/mol:

750.225028

ΔHf, kcal/mol:

-254.73

Dipole, Da:

9.58

IP(EA), eV:

 -9.71(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[5-cyano-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethyl-3-trityloxypropanoyl)sulfanylethoxy]-oxophosphanium

Drug info:

PubChemData

Smile

CC(C)NP1(=O)OCC2C(O1)C(C(O2)(C#N)N3C=CC(=NC3=O)N)(C)O

DOS

IR

Vibrations