Geometry & MOs

Info

ID:	29762
PubChem CID:	836967
Reduced:	ClON5C13H14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	288.012412
ΔH_f, kcal/mol:	33.15
Dipole, Da:	2.59
IP(EA), eV:	-8.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-1,3-benzothiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC=C3)Cl

DOS

IR

Vibrations