Geometry & MOs

Info

ID:	121931
PubChem CID:	50786694
Reduced:	ClSO2N4H11C16 (1)
Stoich.:	ABC2D4E11F16 (1)
Weight, g/mol:	342.058675
ΔH_f, kcal/mol:	53.98
Dipole, Da:	3.11
IP(EA), eV:	-9.04(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-fluorophenyl)methylsulfanyl]-2-(furan-2-yl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CSC2=NNC(=O)C3=CC(=NN32)C4=CC=CO4

DOS

IR

Vibrations