Geometry & MOs

Info

ID:

308343

PubChem CID:

125326251

Reduced:

ClSO3N4H17C19 (1)

Stoich.:

ABC3D4E17F19 (1)

Weight, g/mol:

516.180758

ΔHf, kcal/mol:

-13.82

Dipole, Da:

4.85

IP(EA), eV:

 -8.92(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,4S,6S,6aR)-2,2-dimethyl-4-(6-sulfanylidene-8H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ditert-butyl phosphate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[C@H]2C(=O)N=C(N=N2)SCC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations