Geometry & MOs

Info

ID:	153746
PubChem CID:	56313057
Reduced:	BrN3O4H18C23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	430.00991
ΔH_f, kcal/mol:	-53.37
Dipole, Da:	3.42
IP(EA), eV:	-9.31(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

COCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations