Geometry & MOs

Info

ID:	179160
PubChem CID:	76443431
Reduced:	NO5C31H49 (1)
Stoich.:	AB5C31D49 (1)
Weight, g/mol:	296.06264
ΔH_f, kcal/mol:	-244.0
Dipole, Da:	2.17
IP(EA), eV:	-8.88(0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-acetylsulfanylethylsulfonyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C4=COC=C4)O)CCC5C3(CC(C(C5)OCCOCCN6CCCC6)O)C

DOS

IR

Vibrations