Geometry & MOs

Info

ID:	285824
PubChem CID:	104133921
Reduced:	BrClOSN3H11C12 (1)
Stoich.:	ABCDE3F11G12 (1)
Weight, g/mol:	372.96512
ΔH_f, kcal/mol:	24.33
Dipole, Da:	4.37
IP(EA), eV:	-9.47(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-1,3-thiazol-2-yl)-2-tert-butyl-6-chloropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)NC2=NC=C(S2)Br)Cl

DOS

IR

Vibrations