Geometry & MOs

Info

ID:	21147
PubChem CID:	587340
Reduced:	ClOSN2H9C14 (1)
Stoich.:	ABCD2E9F14 (1)
Weight, g/mol:	288.012412
ΔH_f, kcal/mol:	32.14
Dipole, Da:	4.05
IP(EA), eV:	-9.11(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-chlorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3S2)Cl

DOS

IR

Vibrations