Geometry & MOs

Info

ID:	136021
PubChem CID:	51967623
Reduced:	S2N3O4C24H33 (1)
Stoich.:	A2B3C4D24E33 (1)
Weight, g/mol:	492.199074
ΔH_f, kcal/mol:	-120.81
Dipole, Da:	7.86
IP(EA), eV:	-8.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-1-ium-3-yl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCN([C@@H]1CCN(C1)[C@@H](C)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations