Geometry & MOs

Info

ID:	278178
PubChem CID:	103833896
Reduced:	ClFNSO3C9H11 (1)
Stoich.:	ABCDE3F9G11 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-157.1
Dipole, Da:	4.86
IP(EA), eV:	-9.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CO)NS(=O)(=O)C1=C(C=CC(=C1)F)Cl

DOS

IR

Vibrations