Geometry & MOs

Info

ID:	303204
PubChem CID:	124489350
Reduced:	BrClSN2O2C12H16 (1)
Stoich.:	ABCD2E2F12G16 (1)
Weight, g/mol:	322.096283
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	5.33
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations