Geometry & MOs

Info

ID:

176335

PubChem CID:

76035075

Reduced:

O2N5F6H41C42 (1)

Stoich.:

A2B5C6D41E42 (1)

Weight, g/mol:

452.14601

ΔHf, kcal/mol:

-291.14

Dipole, Da:

7.53

IP(EA), eV:

 -8.73(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C2=CC3=C(C=C2)N=C(C(=C3C(=O)NC(C4=CC=CC=C4)C(F)(F)F)CN5CCC(CC5)N6CCCCC6)C7=CC(=CC=C7)C(F)(F)F

DOS

IR

Vibrations