Geometry & MOs

Info

ID:	296682
PubChem CID:	117588464
Reduced:	SN4O4H18C21 (1)
Stoich.:	AB4C4D18E21 (1)
Weight, g/mol:	477.147075
ΔH_f, kcal/mol:	-18.72
Dipole, Da:	5.22
IP(EA), eV:	-9.24(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N3C(=NC=N3)S2)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations