Geometry & MOs

Info

ID:	60861
PubChem CID:	26702717
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	498.02489
ΔH_f, kcal/mol:	-28.08
Dipole, Da:	6.15
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-bromonaphthalen-2-yl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=CC=CC(=C1)NC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

DOS

IR

Vibrations