Geometry & MOs

Info

ID:	181993
PubChem CID:	76823656
Reduced:	O2N7H21C26 (1)
Stoich.:	A2B7C21D26 (1)
Weight, g/mol:	417.104622
ΔH_f, kcal/mol:	111.49
Dipole, Da:	1.89
IP(EA), eV:	-9.09(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3-methyl-3H-2-benzofuran-5-yl]propyl methanesulfonate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=CC4=C(C(=C5C(=O)N=C6C=CC=CC6=N5)N=C4C=C3)N

DOS

IR

Vibrations