Geometry & MOs

Info

ID:	283346
PubChem CID:	103976194
Reduced:	BrSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	272.099477
ΔH_f, kcal/mol:	-63.07
Dipole, Da:	3.95
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1CCN(C1)S(=O)(=O)C2=CC=CC=C2Br)N

DOS

IR

Vibrations