Geometry & MOs

Info

ID:	122428
PubChem CID:	50806340
Reduced:	SN4O4H18C21 (1)
Stoich.:	AB4C4D18E21 (1)
Weight, g/mol:	382.089975
ΔH_f, kcal/mol:	-19.86
Dipole, Da:	1.7
IP(EA), eV:	-8.86(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)CSC2=NN=C3N2C=CN(C3=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations