Geometry & MOs

Info

ID:	27625
PubChem CID:	822680
Reduced:	FNO4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	335.005074
ΔH_f, kcal/mol:	-109.98
Dipole, Da:	1.65
IP(EA), eV:	-8.52(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations