Geometry & MOs

Info

ID:	172334
PubChem CID:	75497055
Reduced:	O2F3N4H11C14 (1)
Stoich.:	A2B3C4D11E14 (1)
Weight, g/mol:	205.067369
ΔH_f, kcal/mol:	-168.74
Dipole, Da:	7.06
IP(EA), eV:	-9.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfanylmethyl)-1-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)NCC3=NC(=O)C=C(N3)C(F)(F)F)C(=O)N1

DOS

IR

Vibrations