Geometry & MOs

Info

ID:	141014
PubChem CID:	52801264
Reduced:	FO3N4H21C25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	339.174239
ΔH_f, kcal/mol:	-48.64
Dipole, Da:	3.42
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-(4-methoxy-3-methylphenyl)sulfonyl-2-(pyrrolidin-1-ium-1-ylmethyl)pyrrolidine

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC2=NN(C3=C2CCC3)C4=CC=C(C=C4)F)C5=CC6=CC=CC=C6O5

DOS

IR

Vibrations