Geometry & MOs

Info

ID:	31670
PubChem CID:	856002
Reduced:	FSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	345.103275
ΔH_f, kcal/mol:	-27.93
Dipole, Da:	4.52
IP(EA), eV:	-9.17(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3,5-diphenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations