Geometry & MOs

Info

ID:

45031

PubChem CID:

10507375

Reduced:

NO12C28H33 (1)

Stoich.:

AB12C28D33 (1)

Weight, g/mol:

574.153

ΔHf, kcal/mol:

-475.38

Dipole, Da:

3.69

IP(EA), eV:

 -9.5(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-[(Z)-2-bromoethenyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC(=CC=C1)C#C[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC

DOS

IR

Vibrations