Geometry & MOs

Info

ID:	156281
PubChem CID:	56369944
Reduced:	BrO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	486.112854
ΔH_f, kcal/mol:	-74.72
Dipole, Da:	3.42
IP(EA), eV:	-9.97(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzylsulfamoyl)-4-chloro-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(=O)NCC(=O)NCCC(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations