Geometry & MOs

Info

ID:	166488
PubChem CID:	74698489
Reduced:	FSN4H12C16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	327.04712
ΔH_f, kcal/mol:	112.9
Dipole, Da:	6.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.987519
Charge, e:	-1

Chem-info

IUPAC name:

5-(2-chlorophenyl)-4-[(2-methylphenyl)methylideneamino]-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=NN2C(=NN=C2[S-])C3=CC=C(C=C3)F

DOS

IR

Vibrations