Geometry & MOs

Info

ID:	283345
PubChem CID:	103976190
Reduced:	FSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	332.01941
ΔH_f, kcal/mol:	-117.6
Dipole, Da:	8.53
IP(EA), eV:	-9.16(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(C2)C(C)N)F

DOS

IR

Vibrations