Geometry & MOs

Info

ID:	303269
PubChem CID:	124489437
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	272.099477
ΔH_f, kcal/mol:	-66.75
Dipole, Da:	4.61
IP(EA), eV:	-9.06(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations