Geometry & MOs

Info

ID:	79833
PubChem CID:	49830702
Reduced:	ClO4N5H10C14 (1)
Stoich.:	AB4C5D10E14 (1)
Weight, g/mol:	356.138628
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	7.78
IP(EA), eV:	-9.58(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-pyridin-4-yl-N-[1-[3-(trideuteriomethoxy)phenyl]ethyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)O)Cl)NC(=O)NC2=NC=C(N=C2)C#N

DOS

IR

Vibrations