Geometry & MOs

Info

ID:	154156
PubChem CID:	56313557
Reduced:	BrSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	473.01418
ΔH_f, kcal/mol:	-0.53
Dipole, Da:	6.85
IP(EA), eV:	-9.3(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(S1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations