Geometry & MOs

Info

ID:	140822
PubChem CID:	52767711
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	325.158589
ΔH_f, kcal/mol:	-106.22
Dipole, Da:	6.91
IP(EA), eV:	-8.62(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]2CN3CCCC3

DOS

IR

Vibrations