Geometry & MOs

Info

ID:	330386
PubChem CID:	127247373
Reduced:	S2O3N4C13H16 (1)
Stoich.:	A2B3C4D13E16 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	9.38
IP(EA), eV:	-10.06(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCCCN2C(=O)C3=CSC=N3

DOS

IR

Vibrations