Geometry & MOs

Info

ID:	79200
PubChem CID:	49747387
Reduced:	BrN2S3O4C18H23 (1)
Stoich.:	AB2C3D4E18F23 (1)
Weight, g/mol:	430.167477
ΔH_f, kcal/mol:	-115.41
Dipole, Da:	7.29
IP(EA), eV:	-9.28(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-pyridin-3-yloxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNS(=O)(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations