Geometry & MOs

Info

ID:	381972
PubChem CID:	134972860
Reduced:	ClSYN3H12C15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	353.97321
ΔH_f, kcal/mol:	50.96
Dipole, Da:	7.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760289
Charge, e:	-2

Chem-info

IUPAC name:

benzene;1-methanidyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;yttrium

Drug info:

PubChemData

Smile

[CH2-]C1=NNC(=S)N1C2=CC=CC=C2Cl.C1=CC=[C-]C=C1.[Y]

DOS

IR

Vibrations