Geometry & MOs

Info

ID:	280356
PubChem CID:	103848586
Reduced:	OCl2N2H10C13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	345.97755
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	8.23
IP(EA), eV:	-9.13(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-6-yl)-2-bromo-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CN=C(C=C2)Cl)Cl

DOS

IR

Vibrations