Geometry & MOs

Info

ID:

87939

PubChem CID:

49898854

Reduced:

BrNSO4H20C32 (1)

Stoich.:

ABCD4E20F32 (1)

Weight, g/mol:

506.062254

ΔHf, kcal/mol:

-28.87

Dipole, Da:

3.88

IP(EA), eV:

 -8.9(-1.44)

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-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=C(C=CC(=C4)Br)OC(=O)C5=CC=CC6=CC=CC=C65)/SC3=O

DOS

IR

Vibrations