Geometry & MOs

Info

ID:	446196
PubChem CID:	135273069
Reduced:	NO5H27C28 (1)
Stoich.:	AB5C27D28 (1)
Weight, g/mol:	462.038494
ΔH_f, kcal/mol:	-151.67
Dipole, Da:	8.26
IP(EA), eV:	-8.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(C)CC(=O)OC(C)(C)C)C5=CC=CC=C5C(=O)O3

DOS

IR

Vibrations