Geometry & MOs

Info

ID:	121598
PubChem CID:	50774473
Reduced:	FSO3N5H22C24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	485.108852
ΔH_f, kcal/mol:	-63.4
Dipole, Da:	2.83
IP(EA), eV:	-8.97(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopentyl-4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N4C1=NN=C4SCC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations