Geometry & MOs

Info

ID:	330391
PubChem CID:	127247378
Reduced:	SN4O4C15H20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	354.082033
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	1.7
IP(EA), eV:	-10.04(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NO1)C(=O)N2CCCCC2C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations