Geometry & MOs

Info

ID:	205647
PubChem CID:	80132188
Reduced:	BrClSF2N2H4C12 (1)
Stoich.:	ABCD2E2F4G12 (1)
Weight, g/mol:	290.92774
ΔH_f, kcal/mol:	-7.56
Dipole, Da:	3.64
IP(EA), eV:	-9.4(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-2,6-difluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)C2=CC3=C(S2)C(=NC=N3)Cl)F)Br

DOS

IR

Vibrations