Geometry & MOs

Info

ID:

410338

PubChem CID:

135083133

Reduced:

NO9C36H49 (1)

Stoich.:

AB9C36D49 (1)

Weight, g/mol:

612.04836

ΔHf, kcal/mol:

-409.31

Dipole, Da:

4.92

IP(EA), eV:

 -9.28(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,7-ditert-butyl-5-(1,1,2,2,2-pentafluoroethyl)dibenzoselenophen-5-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[C@H]1CCC2([C@H](C[C@@H]([C@H](O2)CC3[C@@H]([C@H]4[C@H]([C@@H](CC[C@H]4C=C3C)O)C)/C(=C\5/C(=O)C(NC5=O)O)/O)C)C)OC1C6=CC(=CC(=C6)O)O

DOS

IR

Vibrations