Geometry & MOs

Info

ID:	124241
PubChem CID:	50876097
Reduced:	N2O2S3C17H18 (1)
Stoich.:	A2B2C3D17E18 (1)
Weight, g/mol:	343.04829
ΔH_f, kcal/mol:	-10.3
Dipole, Da:	6.38
IP(EA), eV:	-8.96(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC=C(S2)C3=CSC(=N3)C

DOS

IR

Vibrations