Geometry & MOs

Info

ID:	122779
PubChem CID:	50821087
Reduced:	FSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	427.144453
ΔH_f, kcal/mol:	-127.81
Dipole, Da:	5.62
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-N-(3-fluorophenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(CCS(=O)(=O)N2CCNCC2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations