Geometry & MOs

Info

ID:	124123
PubChem CID:	50872818
Reduced:	BrN3O4H18C23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	378.086056
ΔH_f, kcal/mol:	-19.72
Dipole, Da:	2.5
IP(EA), eV:	-8.97(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(2,4-dimethylphenyl)-5-[(2-methyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCC4=CC=CC=N4

DOS

IR

Vibrations