Geometry & MOs

Info

ID:	168212
PubChem CID:	74937866
Reduced:	BrSN5H9C14 (1)
Stoich.:	ABC5D9E14 (1)
Weight, g/mol:	370.097386
ΔH_f, kcal/mol:	183.74
Dipole, Da:	3.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942408
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C=NN2C(=NN=C2[S-])C3=CN=CC=C3

DOS

IR

Vibrations