Geometry & MOs

Info

ID:	176249
PubChem CID:	76018574
Reduced:	BrClSN4H11C15 (1)
Stoich.:	ABCD4E11F15 (1)
Weight, g/mol:	349.088498
ΔH_f, kcal/mol:	123.21
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.864050
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-indol-5-ylmethylidene)-2-(2-methoxyanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=N)SC2=NNC3=CC=CC=C3Cl.[Br-]

DOS

IR

Vibrations