Geometry & MOs

Info

ID:	60951
PubChem CID:	26703481
Reduced:	BrFSN2O5C19H20 (1)
Stoich.:	ABCD2E5F19G20 (1)
Weight, g/mol:	495.089818
ΔH_f, kcal/mol:	-190.19
Dipole, Da:	4.16
IP(EA), eV:	-9.24(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations