Geometry & MOs

Info

ID:	162423
PubChem CID:	57394622
Reduced:	SN2O3H20C28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	249.998303
ΔH_f, kcal/mol:	26.84
Dipole, Da:	5.87
IP(EA), eV:	-8.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-thiophen-3-yl-1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)OC2=C3C=C(C=CN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C#N

DOS

IR

Vibrations