Geometry & MOs

Info

ID:	299566
PubChem CID:	117687765
Reduced:	ClN3O9C41H46 (1)
Stoich.:	AB3C9D41E46 (1)
Weight, g/mol:	366.092832
ΔH_f, kcal/mol:	-229.71
Dipole, Da:	5.46
IP(EA), eV:	-8.47(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCCCCOC4=C(C=C(C=C4)C5NC6=C(C=C(C=C6)Cl)C(=O)N5)OC

DOS

IR

Vibrations