Geometry & MOs

Info

ID:	330384
PubChem CID:	127247371
Reduced:	SO3N5C14H19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	339.071134
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	7.92
IP(EA), eV:	-9.54(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCCCC2C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations