Geometry & MOs

Info

ID:	303205
PubChem CID:	124489353
Reduced:	SN2O2F3C13H17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	322.096283
ΔH_f, kcal/mol:	-215.13
Dipole, Da:	5.67
IP(EA), eV:	-8.91(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations