Geometry & MOs

Info

ID:	155906
PubChem CID:	56368243
Reduced:	BrSO2N3H18C21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	411.080826
ΔH_f, kcal/mol:	-0.73
Dipole, Da:	3.72
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-oxo-2-[3-(pyridin-2-ylsulfanylmethyl)anilino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)SCC2=CC(=CC=C2)NC(=O)CNC(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations