Geometry & MOs

Info

ID:	278219
PubChem CID:	103834165
Reduced:	BrFNSO3C13H17 (1)
Stoich.:	ABCDE3F13G17 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-162.69
Dipole, Da:	6.06
IP(EA), eV:	-10.09(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNS(=O)(=O)C2=CC(=C(C=C2)Br)F)O

DOS

IR

Vibrations