Geometry & MOs

Info

ID:	154162
PubChem CID:	56313563
Reduced:	BrN3O3H18C22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	480.02556
ΔH_f, kcal/mol:	-36.66
Dipole, Da:	7.61
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-N-(5-bromopyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations