Geometry & MOs

Info

ID:	25076
PubChem CID:	618556
Reduced:	O2S2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	323.076219
ΔH_f, kcal/mol:	-21.69
Dipole, Da:	4.68
IP(EA), eV:	-8.45(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylsulfonylpiperazin-1-yl)-4-phenyl-1,3-thiazole

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations