Geometry & MOs

Info

ID:	342414
PubChem CID:	127265237
Reduced:	SO2N5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	341.094646
ΔH_f, kcal/mol:	26.54
Dipole, Da:	3.27
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]ethenyl]-1,3,4-thiadiazole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N2CCSCC2C3=NNN=N3

DOS

IR

Vibrations