Geometry & MOs

Info

ID:	122396
PubChem CID:	50804858
Reduced:	FOSN5H8C13 (1)
Stoich.:	ABCD5E8F13 (1)
Weight, g/mol:	378.09506
ΔH_f, kcal/mol:	53.97
Dipole, Da:	6.22
IP(EA), eV:	-9.36(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethenylphenyl)methylsulfanyl]-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C=CN3C(=NN=C3SCC#N)C2=O)F

DOS

IR

Vibrations