Geometry & MOs

Info

ID:	121924
PubChem CID:	50786617
Reduced:	FSO2N6H15C21 (1)
Stoich.:	ABC2D6E15F21 (1)
Weight, g/mol:	412.10054
ΔH_f, kcal/mol:	68.62
Dipole, Da:	0.72
IP(EA), eV:	-9.32(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)CSC3=NNC(=O)C4=CC(=NN43)C5=CC=C(C=C5)F

DOS

IR

Vibrations