Geometry & MOs

Info

ID:	61288
PubChem CID:	26707987
Reduced:	SN3O3F4C21H23 (1)
Stoich.:	AB3C3D4E21F23 (1)
Weight, g/mol:	495.089818
ΔH_f, kcal/mol:	-287.51
Dipole, Da:	10.61
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-phenyl-1,3-thiazol-5-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)C(F)(F)F)NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations