Geometry & MOs

Info

ID:	162424
PubChem CID:	57394630
Reduced:	OS2N4H6C9 (1)
Stoich.:	AB2C4D6E9 (1)
Weight, g/mol:	278.029603
ΔH_f, kcal/mol:	72.2
Dipole, Da:	0.45
IP(EA), eV:	-8.79(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC=C1C2=CSC(=N2)N3C=NNC3=O

DOS

IR

Vibrations