Geometry & MOs

Info

ID:	166901
PubChem CID:	74751499
Reduced:	O4N6C21H28 (1)
Stoich.:	A4B6C21D28 (1)
Weight, g/mol:	444.08031
ΔH_f, kcal/mol:	-104.98
Dipole, Da:	5.49
IP(EA), eV:	-9.16(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium

Drug info:

PubChemData

Smile

CN1C2C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC(=O)OC)CCC4=CC=CC=C4

DOS

IR

Vibrations