Geometry & MOs

Info

ID:	141958
PubChem CID:	52958415
Reduced:	FSO3N4H17C22 (1)
Stoich.:	ABC3D4E17F22 (1)
Weight, g/mol:	291.100777
ΔH_f, kcal/mol:	14.44
Dipole, Da:	3.47
IP(EA), eV:	-8.81(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-4aH-[1]benzofuro[3,2-d]pyrimidin-4-imine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN=C2/C(=N/S(=O)(=O)C3=CC=C(C=C3)F)/N=C4C=CC=CC4=N2

DOS

IR

Vibrations