Geometry & MOs

Info

ID:	303273
PubChem CID:	124489442
Reduced:	SF2N2O2C12H16 (1)
Stoich.:	AB2C2D2E12F16 (1)
Weight, g/mol:	322.096283
ΔH_f, kcal/mol:	-152.69
Dipole, Da:	6.03
IP(EA), eV:	-9.14(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations