Geometry & MOs

Info

ID:	31524
PubChem CID:	855822
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	259.114319
ΔH_f, kcal/mol:	-17.9
Dipole, Da:	2.47
IP(EA), eV:	-8.83(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-4-phenyl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

C1CCN(CC1)CCSC2=NN=C(O2)C3=CC=C(C=C3)O

DOS

IR

Vibrations