Geometry & MOs

Info

ID:	315302
PubChem CID:	126625488
Reduced:	O2F4N5C18H21 (1)
Stoich.:	A2B4C5D18E21 (1)
Weight, g/mol:	471.183444
ΔH_f, kcal/mol:	-226.35
Dipole, Da:	1.29
IP(EA), eV:	-8.85(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2'E,3'E)-2'-ethylidene-3'-[2-(2-methylanilino)prop-2-enylidene]spiro[2-benzofuran-3,1'-benzo[f]chromene]-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN=C(NC(CC(C(F)(F)F)N)N)NC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations