Geometry & MOs

Info

ID:	124242
PubChem CID:	50876098
Reduced:	O2N3S3C13H17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	328.037391
ΔH_f, kcal/mol:	-16.74
Dipole, Da:	5.55
IP(EA), eV:	-8.77(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)C

DOS

IR

Vibrations