Geometry & MOs

Info

ID:	233173
PubChem CID:	87692793
Reduced:	BrF3N5O6C57H61 (1)
Stoich.:	AB3C5D6E57F61 (1)
Weight, g/mol:	247.077933
ΔH_f, kcal/mol:	-256.94
Dipole, Da:	11.09
IP(EA), eV:	-8.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NC3=C(C(=CC(=C3N2CCOC)OC)COC4=CC=CC=C4CC(N(CC5=CC(=C6C(=C5Br)N=C(N6CCOC)C7=CC=C(C=C7)C(C)C)OC)C8=CC=CC=C8)O)C(F)(F)F

DOS

IR

Vibrations