Geometry & MOs

Info

ID:	144636
PubChem CID:	53390497
Reduced:	SCl2N4O4C22H22 (1)
Stoich.:	AB2C4D4E22F22 (1)
Weight, g/mol:	562.06446
ΔH_f, kcal/mol:	-83.2
Dipole, Da:	3.44
IP(EA), eV:	-9.49(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-cyano-2-(3,5-dichlorophenoxy)phenyl]sulfonylamino]-N-(3-fluorophenyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C=CCNC(=O)N1CCC(CC1)NS(=O)(=O)C2=C(C=CC(=C2)C#N)OC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations