Geometry & MOs

Info

ID:	303227
PubChem CID:	124489381
Reduced:	FSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	286.115127
ΔH_f, kcal/mol:	-108.86
Dipole, Da:	7.03
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations