Geometry & MOs

Info

ID:	121923
PubChem CID:	50786616
Reduced:	FSO2N4H17C21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	434.096123
ΔH_f, kcal/mol:	-6.17
Dipole, Da:	2.5
IP(EA), eV:	-9.12(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-7-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)CSC2=NNC(=O)C3=CC(=NN32)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations