Geometry & MOs

Info

ID:

86778

PubChem CID:

49889231

Reduced:

BrN2S2O6H19C25 (1)

Stoich.:

AB2C2D6E19F25 (1)

Weight, g/mol:

525.96571

ΔHf, kcal/mol:

-156.88

Dipole, Da:

11.5

IP(EA), eV:

 -9.03(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4)Br

DOS

IR

Vibrations