Geometry & MOs

Info

ID:	13623
PubChem CID:	396208
Reduced:	BrSN3H12C19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	392.99353
ΔH_f, kcal/mol:	118.5
Dipole, Da:	3.43
IP(EA), eV:	-8.22(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=C4C=CC(=C5)Br

DOS

IR

Vibrations