Geometry & MOs

Info

ID:	178890
PubChem CID:	76397322
Reduced:	BrSN2O2H11C18 (1)
Stoich.:	ABC2D2E11F18 (1)
Weight, g/mol:	348.068097
ΔH_f, kcal/mol:	27.37
Dipole, Da:	4.86
IP(EA), eV:	-9.09(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylidene-2-[2-(2-oxoindol-3-yl)hydrazinyl]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)Br)C(=C3C(=O)N=C(S3)C4=CC=CC=C4)C1=O

DOS

IR

Vibrations