Geometry & MOs

Info

ID:	330232
PubChem CID:	127247219
Reduced:	FSN3O3C16H18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	351.136511
ΔH_f, kcal/mol:	-124.8
Dipole, Da:	4.28
IP(EA), eV:	-9.91(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)C(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations