Geometry & MOs

Info

ID:	28606
PubChem CID:	828563
Reduced:	FOSN3H12C16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	309.093583
ΔH_f, kcal/mol:	21.08
Dipole, Da:	0.43
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone

Drug info:

PubChemData

Smile

CSC1=NC(=NN1C(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations