Geometry & MOs

Info

ID:	176336
PubChem CID:	76035119
Reduced:	O2F3N4H19C24 (1)
Stoich.:	A2B3C4D19E24 (1)
Weight, g/mol:	457.135031
ΔH_f, kcal/mol:	-109.06
Dipole, Da:	4.1
IP(EA), eV:	-8.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4'-fluoro-7'-(2-fluoropyridin-3-yl)-2'-(2-methylpyrimidin-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1F)C2=CC3=C(C(=C2)F)OC4=C(C35COC(=N5)N)C=C(C=C4)C6=C(N=CC=C6)F

DOS

IR

Vibrations