Geometry & MOs

Info

ID:	21234
PubChem CID:	587751
Reduced:	ClOSN3H10C14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	303.023311
ΔH_f, kcal/mol:	35.3
Dipole, Da:	3.21
IP(EA), eV:	-8.97(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=N2)NC(=O)C3=C(N=CC=C3)Cl

DOS

IR

Vibrations