Geometry & MOs

Info

ID:	280548
PubChem CID:	103849847
Reduced:	ClNSO3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	316.90252
ΔH_f, kcal/mol:	-96.51
Dipole, Da:	2.36
IP(EA), eV:	-9.81(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-6-chloropyridin-3-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)CCOC1=C(C(=CC=C1)Cl)C#N

DOS

IR

Vibrations