Geometry & MOs

Info

ID:

171117

PubChem CID:

75329803

Reduced:

BrN2S2O8H17C24 (1)

Stoich.:

AB2C2D8E17F24 (1)

Weight, g/mol:

548.11331

ΔHf, kcal/mol:

-148.66

Dipole, Da:

11.8

IP(EA), eV:

 -9.14(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2-bromophenyl)methyl]-5-[[1-(4-cyclohexylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-])Br

DOS

IR

Vibrations