Geometry & MOs

Info

ID:	207978
PubChem CID:	80476405
Reduced:	BrFSN2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	258.043854
ΔH_f, kcal/mol:	15.77
Dipole, Da:	5.94
IP(EA), eV:	-9.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-thiazol-5-yl-[2-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=C(C=C1)F)Br)C2=CN=CS2

DOS

IR

Vibrations