Geometry & MOs

Info

ID:	183082
PubChem CID:	76976535
Reduced:	FOSN3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	219.046633
ΔH_f, kcal/mol:	21.02
Dipole, Da:	3.62
IP(EA), eV:	-9.74(-2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CCN2C(=O)N=NC2=S

DOS

IR

Vibrations