Geometry & MOs

Info

ID:	166484
PubChem CID:	74698485
Reduced:	OSN4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	299.042514
ΔH_f, kcal/mol:	130.39
Dipole, Da:	6.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.040491
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(N2N=CC3=CC=CO3)[S-]

DOS

IR

Vibrations