Geometry & MOs

Info

ID:	178115
PubChem CID:	76280525
Reduced:	ClSN4O5H21C22 (1)
Stoich.:	ABC4D5E21F22 (1)
Weight, g/mol:	455.06784
ΔH_f, kcal/mol:	-136.46
Dipole, Da:	4.37
IP(EA), eV:	-9.11(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CNC(=O)C3C=NC4=CC=CC=C4C3=O)Cl

DOS

IR

Vibrations