Geometry & MOs

Info

ID:	14078
PubChem CID:	403585
Reduced:	BrSO2N4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	442.00991
ΔH_f, kcal/mol:	53.27
Dipole, Da:	8.05
IP(EA), eV:	-8.55(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-oxoindol-3-yl)hydrazinylidene]-5-methyl-3-(4-methylphenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1C(=O)N(C(=NNC2=C3C=C(C=CC3=NC2=O)Br)S1)C4=CC=C(C=C4)C

DOS

IR

Vibrations