Geometry & MOs

Info

ID:	278296
PubChem CID:	103834695
Reduced:	BrFNSO4C11H15 (1)
Stoich.:	ABCDE4F11G15 (1)
Weight, g/mol:	283.087829
ΔH_f, kcal/mol:	-185.04
Dipole, Da:	6.12
IP(EA), eV:	-9.72(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]propan-1-one

Drug info:

PubChemData

Smile

COCCN(CCO)S(=O)(=O)C1=CC(=C(C=C1)Br)F

DOS

IR

Vibrations