Geometry & MOs

Info

ID:	296681
PubChem CID:	117588384
Reduced:	BrSO3N4H9C13 (1)
Stoich.:	ABC3D4E9F13 (1)
Weight, g/mol:	422.104876
ΔH_f, kcal/mol:	0.01
Dipole, Da:	4.3
IP(EA), eV:	-9.54(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethoxy-4-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)/C=C\2/C(=O)N3C(=NC=N3)S2)OCC(=O)N

DOS

IR

Vibrations