Geometry & MOs

Info

ID:	24546
PubChem CID:	610825
Reduced:	FS2N4C10H11 (1)
Stoich.:	AB2C4D10E11 (1)
Weight, g/mol:	270.040917
ΔH_f, kcal/mol:	36.36
Dipole, Da:	3.58
IP(EA), eV:	-8.69(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-amino-1-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanethiol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=NC(=N2)SCCS)N)F

DOS

IR

Vibrations