Geometry & MOs

Info

ID:	168218
PubChem CID:	74937872
Reduced:	OSN5H12C15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	354.102471
ΔH_f, kcal/mol:	139.03
Dipole, Da:	6.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.906879
Charge, e:	-1

Chem-info

IUPAC name:

4-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=NN2C(=NN=C2[S-])C3=CN=CC=C3

DOS

IR

Vibrations