Geometry & MOs

Info

ID:	303031
PubChem CID:	124489125
Reduced:	ON2F3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-175.69
Dipole, Da:	6.43
IP(EA), eV:	-9.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)CNCC(F)(F)F

DOS

IR

Vibrations