Geometry & MOs

Info

ID:	140819
PubChem CID:	52767708
Reduced:	N2O2S2C13H21 (1)
Stoich.:	A2B2C2D13E21 (1)
Weight, g/mol:	300.09662
ΔH_f, kcal/mol:	-45.89
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768442
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine

Drug info:

PubChemData

Smile

C1CC[NH+](C1)C[C@@H]2CCCN2S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations