Geometry & MOs

Info

ID:	124243
PubChem CID:	50876099
Reduced:	N2O2S3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	342.053041
ΔH_f, kcal/mol:	-29.01
Dipole, Da:	6.57
IP(EA), eV:	-9.21(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations