Geometry & MOs

Info

ID:	303266
PubChem CID:	124489434
Reduced:	FSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	286.115127
ΔH_f, kcal/mol:	-118.81
Dipole, Da:	1.36
IP(EA), eV:	-8.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CC[C@H](C2)CNC

DOS

IR

Vibrations