Geometry & MOs

Info

ID:	429880
PubChem CID:	135169934
Reduced:	ClOF3N8H20C24 (1)
Stoich.:	ABC3D8E20F24 (1)
Weight, g/mol:	283.039103
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	4.24
IP(EA), eV:	-7.63(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,2-benzothiazole

Drug info:

PubChemData

Smile

CC1C(=CC(=C(N1)C2=NN(C=C2)C)Cl)NC(=O)C3=C(N(N=C3)C4=CN=C(C5=CC=CC=C54)N)C(F)(F)F

DOS

IR

Vibrations