Geometry & MOs

Info

ID:

124063

PubChem CID:

50871719

Reduced:

N2S3O7H14C18 (1)

Stoich.:

A2B3C7D14E18 (1)

Weight, g/mol:

535.98395

ΔHf, kcal/mol:

-93.62

Dipole, Da:

8.7

IP(EA), eV:

 -8.78(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)/C(=C\C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)/SC1=S

DOS

IR

Vibrations