Geometry & MOs

Info

ID:	328638
PubChem CID:	126726177
Reduced:	SN7H25C31 (1)
Stoich.:	AB7C25D31 (1)
Weight, g/mol:	428.090724
ΔH_f, kcal/mol:	192.53
Dipole, Da:	11.93
IP(EA), eV:	-9.27(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[2-(5-fluoro-1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-4-yl]-1H-indole

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(S1)C2=NC(=NC(=N2)C3=CC4=C(N3)C=CC(=C4)C#N)C5=CC6=C(N5)C=CC(=C6)C#N

DOS

IR

Vibrations