Geometry & MOs

Info

ID:	172818
PubChem CID:	75556731
Reduced:	SN3O3H11C18 (1)
Stoich.:	AB3C3D11E18 (1)
Weight, g/mol:	349.088498
ΔH_f, kcal/mol:	37.68
Dipole, Da:	4.26
IP(EA), eV:	-9.08(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N4C(=NC(=N4)C5=CC=CC=C5)S3

DOS

IR

Vibrations