Geometry & MOs

Info

ID:	173917
PubChem CID:	75697636
Reduced:	F3O3N6C23H30 (1)
Stoich.:	A3B3C6D23E30 (1)
Weight, g/mol:	385.054429
ΔH_f, kcal/mol:	-205.03
Dipole, Da:	4.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.962956
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpyrrolidin-1-ium-3-yl)-3,5-dichlorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC(=CC=C2)C(F)(F)F)[NH+]3CCN(CC3)CC(=O)NC(=O)NC4CCCC4

DOS

IR

Vibrations