Geometry & MOs

Info

ID:	343631
PubChem CID:	127266807
Reduced:	ClFNSO3C13H17 (1)
Stoich.:	ABCDE3F13G17 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-168.97
Dipole, Da:	4.87
IP(EA), eV:	-10.23(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(=O)CCCCCNS(=O)(=O)C1=CC(=CC(=C1)F)Cl

DOS

IR

Vibrations