Geometry & MOs

Info

ID:	60862
PubChem CID:	26702723
Reduced:	BrSN2O4H19C23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	417.09139
ΔH_f, kcal/mol:	-57.16
Dipole, Da:	5.16
IP(EA), eV:	-9.23(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)OC2=C(C3=CC=CC=C3C=C2)Br)S(=O)(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations