Geometry & MOs

Info

ID:	122395
PubChem CID:	50804662
Reduced:	FSO3N5H16C20 (1)
Stoich.:	ABC3D5E16F20 (1)
Weight, g/mol:	301.043359
ΔH_f, kcal/mol:	-40.58
Dipole, Da:	9.87
IP(EA), eV:	-9.02(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[7-(4-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl]acetonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CN3C(=NN=C3SCC(=O)NC4=CC(=CC=C4)F)C2=O

DOS

IR

Vibrations