Geometry & MOs

Info

ID:	242797
PubChem CID:	99206372
Reduced:	ClSN3O4C24H24 (1)
Stoich.:	ABC3D4E24F24 (1)
Weight, g/mol:	448.05686
ΔH_f, kcal/mol:	-91.23
Dipole, Da:	5.18
IP(EA), eV:	-8.08(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-1-[2-(pyridin-4-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)N4CCCC4)Cl

DOS

IR

Vibrations