Geometry & MOs

Info

ID:	288937
PubChem CID:	104328695
Reduced:	FNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	209.042297
ΔH_f, kcal/mol:	-108.46
Dipole, Da:	5.16
IP(EA), eV:	-8.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-2-methylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(S1)C2=C(C=C(C=C2)F)C)N

DOS

IR

Vibrations