Geometry & MOs

Info

ID:	168215
PubChem CID:	74937869
Reduced:	SCl2N5H8C14 (1)
Stoich.:	AB2C5D8E14 (1)
Weight, g/mol:	370.097386
ΔH_f, kcal/mol:	166.1
Dipole, Da:	3.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.967201
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NN=C(N2N=CC3=CC(=C(C=C3)Cl)Cl)[S-]

DOS

IR

Vibrations