Geometry & MOs

Info

ID:	158383
PubChem CID:	56463546
Reduced:	ClSO3N5H12C17 (1)
Stoich.:	ABC3D5E12F17 (1)
Weight, g/mol:	435.165034
ΔH_f, kcal/mol:	8.17
Dipole, Da:	6.02
IP(EA), eV:	-9.13(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)Cl)C#N)N3C=CC(=N3)C(=O)N

DOS

IR

Vibrations