Geometry & MOs

Info

ID:	303033
PubChem CID:	124489127
Reduced:	SN2O2F3C12H15 (1)
Stoich.:	AB2C2D3E12F15 (1)
Weight, g/mol:	308.080633
ΔH_f, kcal/mol:	-214.6
Dipole, Da:	5.96
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CN

DOS

IR

Vibrations