Geometry & MOs

Info

ID:	121934
PubChem CID:	50786703
Reduced:	FSO3N5H18C20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	366.09506
ΔH_f, kcal/mol:	-60.77
Dipole, Da:	6.88
IP(EA), eV:	-9.24(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC(C)C)C3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations