Geometry & MOs

Info

ID:	327688
PubChem CID:	126690749
Reduced:	NF5O7H18C29 (1)
Stoich.:	AB5C7D18E29 (1)
Weight, g/mol:	435.131802
ΔH_f, kcal/mol:	-392.55
Dipole, Da:	4.96
IP(EA), eV:	-9.23(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3'-(hydroxymethoxymethoxy)-6'-methoxy-6-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)NC5=C(C(=C(C(=C5F)F)F)F)F)C(=O)O3)C6=C(O2)C=C(C=C6)OCOCO

DOS

IR

Vibrations