Geometry & MOs

Info

ID:	342662
PubChem CID:	127265822
Reduced:	BrSN3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	325.013282
ΔH_f, kcal/mol:	100.47
Dipole, Da:	1.09
IP(EA), eV:	-9.12(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-6-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethenyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations