Geometry & MOs

Info

ID:	155860
PubChem CID:	56367925
Reduced:	BrSN3O3C17H24 (1)
Stoich.:	ABC3D3E17F24 (1)
Weight, g/mol:	426.03275
ΔH_f, kcal/mol:	-114.67
Dipole, Da:	5.09
IP(EA), eV:	-9.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromophenoxy)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)CN(C)C(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations