Geometry & MOs

Info

ID:	330231
PubChem CID:	127247218
Reduced:	FSN3O3C16H18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	351.105291
ΔH_f, kcal/mol:	-122.66
Dipole, Da:	3.89
IP(EA), eV:	-9.76(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-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=C3F

DOS

IR

Vibrations