Geometry & MOs

Info

ID:	140820
PubChem CID:	52767709
Reduced:	N2O2S2C13H20 (1)
Stoich.:	A2B2C2D13E20 (1)
Weight, g/mol:	325.158589
ΔH_f, kcal/mol:	-53.38
Dipole, Da:	5.13
IP(EA), eV:	-8.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-1-(4-methoxyphenyl)sulfonyl-2-(pyrrolidin-1-ium-1-ylmethyl)pyrrolidine

Drug info:

PubChemData

Smile

C1CCN(C1)C[C@@H]2CCCN2S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations