Geometry & MOs

Info

ID:	351649
PubChem CID:	127280716
Reduced:	FO2S2N4C15H15 (1)
Stoich.:	AB2C2D4E15F15 (1)
Weight, g/mol:	392.058853
ΔH_f, kcal/mol:	-32.68
Dipole, Da:	5.0
IP(EA), eV:	-9.0(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NC(=CS1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

DOS

IR

Vibrations