Geometry & MOs

Info

ID:	308264
PubChem CID:	125325051
Reduced:	ClOS2N4H23C26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	293.083413
ΔH_f, kcal/mol:	107.98
Dipole, Da:	5.09
IP(EA), eV:	-8.77(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-4-oxo-3H-pyridin-5-yl)oxy]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CN([C@@H]([C@@H]1CC=CS1)C2=C3C=CC=CC3=NC2)C(=O)C4=NC(=NC=C4Cl)SCC5=CC=CC=C5

DOS

IR

Vibrations