Geometry & MOs

Info

ID:	156450
PubChem CID:	56370673
Reduced:	BrSN2O4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	461.999786
ΔH_f, kcal/mol:	-133.74
Dipole, Da:	5.22
IP(EA), eV:	-8.84(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-3,4,5,6-tetrachloropyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCC1=CC(=CC=C1)N2CCCC2=O)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations