Geometry & MOs

Info

ID:	77511
PubChem CID:	49649877
Reduced:	FNSO3H18C23 (1)
Stoich.:	ABCD3E18F23 (1)
Weight, g/mol:	388.158706
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	2.86
IP(EA), eV:	-9.01(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-5-(5-fluoro-2-phenyl-1H-indol-3-yl)-3-oxopentanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)C2=C(C3=C(C=CC=C3S2)F)COC4=CC=CC=C4

DOS

IR

Vibrations