Geometry & MOs

Info

ID:	303255
PubChem CID:	124489422
Reduced:	FSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	308.080633
ΔH_f, kcal/mol:	-105.5
Dipole, Da:	5.46
IP(EA), eV:	-9.12(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[(3S)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations