Geometry & MOs

Info

ID:

403766

PubChem CID:

135061778

Reduced:

BrSeN5O5H14C16 (1)

Stoich.:

ABC5D5E14F16 (1)

Weight, g/mol:

780.06622

ΔHf, kcal/mol:

-78.35

Dipole, Da:

4.77

IP(EA), eV:

 -9.62(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(6aR,8R)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-selenopheno[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-3-benzoyl-5-iodopyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N2C(=O)C(=CN(C2=O)[C@H]3C(C([C@H]([Se]3)CO)O)N=[N+]=[N-])Br

DOS

IR

Vibrations