Geometry & MOs

Info

ID:	172819
PubChem CID:	75556732
Reduced:	SO2N3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	349.088498
ΔH_f, kcal/mol:	52.76
Dipole, Da:	6.52
IP(EA), eV:	-8.94(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-[(3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2

DOS

IR

Vibrations