Geometry & MOs

Info

ID:	303268
PubChem CID:	124489436
Reduced:	FSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	-115.55
Dipole, Da:	0.77
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CC[C@H](C2)CNC

DOS

IR

Vibrations