Geometry & MOs

Info

ID:	61252
PubChem CID:	26707434
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-66.83
Dipole, Da:	4.66
IP(EA), eV:	-9.27(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanophenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)[C@H]3CC4=CC=CC=C4O3

DOS

IR

Vibrations