Geometry & MOs

Info

ID:	342661
PubChem CID:	127265821
Reduced:	BrSN3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	268.96223
ΔH_f, kcal/mol:	99.05
Dipole, Da:	4.58
IP(EA), eV:	-8.87(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C=CC2=NC=C(S2)Br

DOS

IR

Vibrations