Geometry & MOs

Info

ID:	175150
PubChem CID:	75862559
Reduced:	FON4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	460.227003
ΔH_f, kcal/mol:	-25.36
Dipole, Da:	8.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995077
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ium-1-ylacetamide

Drug info:

PubChemData

Smile

C[NH+](CC1CCCN(C1)C(=O)NC2=CC(=CC=C2)F)CC3=CN=CC=C3

DOS

IR

Vibrations