Geometry & MOs

Info

ID:	166482
PubChem CID:	74698483
Reduced:	S2N4H13C15 (1)
Stoich.:	A2B4C13D15 (1)
Weight, g/mol:	294.081342
ΔH_f, kcal/mol:	153.53
Dipole, Da:	7.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.042844
Charge, e:	-1

Chem-info

IUPAC name:

5-(3-methylphenyl)-4-(pyridin-3-ylmethylideneamino)-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(N2N=CC3=CC=C(S3)C)[S-]

DOS

IR

Vibrations