Geometry & MOs

Info

ID:	41750
PubChem CID:	8147029
Reduced:	FOSN3H21C23 (1)
Stoich.:	ABCD3E21F23 (1)
Weight, g/mol:	406.152872
ΔH_f, kcal/mol:	40.69
Dipole, Da:	8.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805980
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate

Drug info:

PubChemData

Smile

C1CC1[NH+](CC2=CC=CC=C2F)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

DOS

IR

Vibrations