Geometry & MOs

Info

ID:

381932

PubChem CID:

134972797

Reduced:

ClPO12C22H30 (1)

Stoich.:

ABC12D22E30 (1)

Weight, g/mol:

666.202818

ΔHf, kcal/mol:

-553.28

Dipole, Da:

4.76

IP(EA), eV:

 -9.61(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] [(3aR,5R)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl (2-chlorophenyl) phosphate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C(O1)C([C@H](O2)CO)OP(=O)(OC[C@@H]3C(C4[C@H](O3)OC(O4)(C)C)O)OC5=CC=CC=C5Cl)C

DOS

IR

Vibrations