Geometry & MOs

Info

ID:	330385
PubChem CID:	127247372
Reduced:	S2N3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	340.066383
ΔH_f, kcal/mol:	-64.79
Dipole, Da:	4.43
IP(EA), eV:	-9.49(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCCCN2C(=O)C3=CC=CS3

DOS

IR

Vibrations