Geometry & MOs

Info

ID:	142153
PubChem CID:	52991621
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	445.079382
ΔH_f, kcal/mol:	-117.57
Dipole, Da:	7.96
IP(EA), eV:	-9.91(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dichloro-N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCCC2=NC3CCCCC3

DOS

IR

Vibrations